2,2-dimethyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

2,2-dimethyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

CAS: 138459-91-3

Formula: C8H13NOS2

SMILES: CC(C)(C)C(=O)N1CCSC1=S

IUPAC: 2,2-dimethyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

InChI: InChI=1S/C8H13NOS2/c1-8(2,3)6(10)9-4-5-12-7(9)11/h4-5H2,1-3H3

Composition: C (47.26%), H (6.45%), N (6.89%), O (7.87%), S (31.54%)

Molar Mass: 203.32

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	203.043856391
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QPFBZLPXTOTDIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.78
Topological Polar Surface Area	20.31
Polarizability	22.49
Ring Count	1
Rotatable Bond Count	1

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