1-[(4-methylphenyl)sulfanyl]propan-2-one

1-[(4-methylphenyl)sulfanyl]propan-2-one

CAS: 1200-13-1

Formula: C10H12OS

SMILES: CC(=O)CSC1=CC=C(C)C=C1

IUPAC: 1-[(4-methylphenyl)sulfanyl]propan-2-one

InChI: InChI=1S/C10H12OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,7H2,1-2H3

Composition: C (66.63%), H (6.71%), O (8.88%), S (17.78%)

Molar Mass: 180.27

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.06088618
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CYDGCRNQPJVYSN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.64
Topological Polar Surface Area	17.07
Polarizability	20.74
Ring Count	1
Rotatable Bond Count	3

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