bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride

bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride

CAS: 4886-16-2

Formula: C6H6ClNOS3

SMILES: CSC1=C(C(Cl)=O)C(SC)=NS1

IUPAC: bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride

InChI: InChI=1S/C6H6ClNOS3/c1-10-5-3(4(7)9)6(11-2)12-8-5/h1-2H3

Composition: C (30.06%), H (2.52%), Cl (14.79%), N (5.84%), O (6.67%), S (40.12%)

Molar Mass: 239.75

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.930005
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RGTALKSXFRVNIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.1
Topological Polar Surface Area	29.96
Polarizability	21.81
Ring Count	1
Rotatable Bond Count	3

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