2(3H)-Thiazolethion...

2(3H)-Thiazolethione,3,4-dimethyl- 5316-79-0

2(3H)-Thiazolethione,3,4-dimethyl- 5316-79-0

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  • Purity: 99%
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2(3H)-Thiazolethione,3,4-dimethyl- 5316-79-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

Identification and Related Records
【Name】
2(3H)-Thiazolethione,3,4-dimethyl-
【CAS Registry number】
5316-79-0
【Synonyms】
4-Thiazoline-2-thione,3,4-dimethyl- (6CI,7CI,8CI)
3,4-Dimethyl-4-thiazoline-2-thione
3,4-Dimethylthiazoline-2-thione
NSC 306416
【Molecular Formula】
C5H7 N S2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C5H7NS2/c1-4-3-8-5(7)6(4)2/h3H,1-2H3
【InChIKey】
YLEWVHJVGDKCNJ-UHFFFAOYSA-N
【Canonical SMILES】
CC1=CSC(=S)N1C
【MOL File】
5316-79-0.mol
Chemical and Physical Properties
【Density】
1.29g/cm3
【Boiling Point】
205.6°Cat760mmHg
【Refractive Index】
1.672
【Flash Point】
78.1°C
【Computed Properties】
Molecular Weight:145.24578 [g/mol]
Molecular Formula:C5H7NS2
XLogP3-AA:1.4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:145.001991
MonoIsotopic Mass:145.001991
Topological Polar Surface Area:60.6
Heavy Atom Count:8
Formal Charge:0
Complexity:151
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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