Chemical Properties of Morpholine, 4-(2-benzothiazolylthio)- (CAS 102-77-2)

InChI

InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2

InChI Key

MHKLKWCYGIBEQF-UHFFFAOYSA-N

Formula

SMILES

c1ccc2sc(SN3CCOCC3)nc2c1

Molecular Weight¹

252.36

CAS

102-77-2

Other Names

Benzothiazole, 2-(morpholinothio)-
2-(Morpholinothio)benzothiazole
Amax
Benzothiazole, 2-(4-morpholinylthio)-
Benzothiazolyl-2-sulfenmorpholide
Morpholinylmercaptobenzothiazole
N-(Oxodiethylene)-2-benzothiazolesulfenamide
N-(Oxydiethylene)-2-benzothiazolesulfenamide
N-(Oxydiethylene)benzothiazole-2-sulfenamide
N-(Oxydiethylene)benzothiazylsulfenamide
N,N-(Oxydiethylene)-2-benzothiazolesulfenamide
N,N-(Oxydiethylene)-2-benzothiazylsulfenamide
N,N-(Oxydiethylene)benzothiazole-2-sulfenamide
NOBS Special
Santocure MOR
Sulfenamide M
Sulfenax MOR
Vulcafor BSM
Vulkacit MOZ
2-(4-Morpholinothio)benzothiazole
2-(4-Morpholinylmercapto)benzothiazole
2-Benzothiazolesulfenamide, N-morpholinyl-
2-Benzothiazolesulfenemorpholide
2-Benzothiazolyl N-morpholino sulfide
2-Benzothiazolylsulfenyl morpholine
4-(2-Benzothiazolylthio)morpholine
USAF CY-7
2-(4-Morpholinylthio)benzothiazole
N-Oxydiethyl-2-benzthiazolsulfenamid
Sulfenax mob
2-(Morpholinthio)-benzothiazole
Accelerator NC
Delac MOR
OBTS
MBS
Meramide M
Accel NS
NSC 70078

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.4695		Relay (1.0) Calculated Property
Δ_fG°	287.04	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	164.98	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	90.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.81		Relay (1.0) Calculated Property
logP_oct/wat	2.636		Crippen Calculated Property
McVol	174.600	ml/mol	McGowan Calculated Property
P_c	3119.49	kPa	Relay (1.0-beta) Calculated Property
T_boil	632.13	K	Relay (1.0) Calculated Property
T_c	904.59	K	Relay (1.0) Calculated Property
T_fus	[359.45; 360.05]	K
T_fus	359.45 ± 0.35	K	NIST
T_fus	360.05 ± 0.20	K	NIST
V_c	0.627	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

amikacin.

9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate.

1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-.

Caulophylline.

Cytisine, N-formyl-.

Camoensidine.

N-acetylcytisine.

7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-.

Anagyrine.

Cytisine.

DILTIAZEM, M(DESAMINO-HO-), AC.

DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC.

Nomifensine M(HO), diacetylated, isomer # 1.

Tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Glycine-threonine-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Find more compounds similar to Morpholine, 4-(2-benzothiazolylthio)-.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
McGowan Method
NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.