Chemical Properties of Nocodazole (CAS 31430-18-9)

InChI

InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

InChI Key

KYRVNWMVYQXFEU-UHFFFAOYSA-N

Formula

SMILES

COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1

Molecular Weight¹

301.32

CAS

31430-18-9

Other Names

Carbamic acid, [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester
Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazole-2-yl)-, methyl ester
Methyl (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)carbamate
Methyl 5-(2-thenoyl)-2-benzimidazolecarbamate
Methyl 5-(2-thienoyl)-2-benzimidazolecarbamate
Methyl(5-(2-thienylcarbonyl))-1H-benzimidazole-2-yl carbamate
N-(5-(2-Thenoyl)-2-benzimidazolyl)carbamic acid methyl ester
N-(5-(2-Thienoyl)-2-benzimidazolyl)carbamic acid methyl ester
NSC 238159
Oncodazole
R 17,934
R 17934
2-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl ester
2-Benzimidazolecarbamic acid, 5-(2-thienoyl)-, methyl ester
2-Benzimidazolecarbamic acid, 5-(2-thienylcarbonyl)-, methyl ester
Carbamic acid, N-[5-(2-thenoyl)-1H-benzimidazol-2-yl]-, methyl ester
[5-(Thiophene-2-carbonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl ester
Methyl N-(5-thenoyl-2-benzimidazolyl)carbamate
[[5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]]carbamic acid methyl ester

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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7918		Relay (1.0) Calculated Property
Δ_fG°	77.18	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-233.57	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	141.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log₁₀WS	-4.48		Relay (1.0) Calculated Property
logP_oct/wat	2.552		Crippen Calculated Property
McVol	205.040	ml/mol	McGowan Calculated Property
P_c	4062.66	kPa	Relay (1.0-beta) Calculated Property
T_boil	683.75	K	Relay (1.0) Calculated Property
T_c	1061.92	K	Relay (1.0) Calculated Property
T_fus	547.61	K	Relay (1.0) Calculated Property
V_c	0.749	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Ibogaine.

Retroisosensine.

Benazepril Me.

Retroisosenine.

Epibaptifoline.

Glyceollin III, TMS.

Argentamin.

Tetrabenazine M (desmethyl-HO-), monoacetylated.

Glyceollin V, TMS.

Baptifoline.

Yohimbine.

Zinc octaethylporphyrin chloride.

7-diacetyllycopsamine.

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

Grahamine.

Find more compounds similar to Nocodazole.

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

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