Chemical Properties of 4-(N-butylsulfonylmethyl)-4-thiazoline-2-thione (CAS 90087-94-8)

4-(N-butylsulfonylmethyl)-4-thiazoline-2-thione

InChI
InChI=1S/C8H13NO2S3/c1-2-3-4-14(10,11)6-7-5-13-8(12)9-7/h5H,2-4,6H2,1H3,(H,9,12)
InChI Key
ZDJKPMSHPGTQTD-UHFFFAOYSA-N
Formula
C8H13NO2S3
SMILES
CCCCS(=O)(=O)Cc1csc(=S)[nH]1
Molecular Weight1
251.39
CAS
90087-94-8
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Physical Properties

Property Value Unit Source
ω 0.6121 Relay (1.0) Calculated Property
ΔfG° -148.12 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -283.24 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 137.37 kJ/mol Relay (1.0) Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -3.55 Relay (1.0) Calculated Property
logPoct/wat 2.039 Crippen Calculated Property
McVol 174.890 ml/mol McGowan Calculated Property
Pc 2938.01 kPa Relay (1.0-beta) Calculated Property
Tboil 640.50 K Relay (1.0) Calculated Property
Tc 886.35 K Relay (1.0) Calculated Property
Tfus 443.33 K Relay (1.0) Calculated Property
Vc 0.578 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(N-pentylsulfonyl) methyl-4-thiazoline-2-thione. 4-[(Hexylsulfonyl)methyl]-4-thiazoline-2-thione. 4-(N-heptylsulfonylmethyl)-4-thiazoline-2-thione. Bis-(n-pentanesulfonyl methyl)-2-thiazolyl disulfide. 2,2'-Dithio bis 4-(n-heptylsulfonylmethyl) thiazole. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 3',5'-cyclic phosphate. 5'-Inosinic acid, dibutyl ester. Tazettine. Tinctorine. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Moexipril Me.

Find more compounds similar to 4-(N-butylsulfonylmethyl)-4-thiazoline-2-thione.

Sources

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