(3,4-dimethoxyphenyl)methanethiol

(3,4-dimethoxyphenyl)methanethiol

CAS: 54810-59-2

Formula: C9H12O2S

SMILES: COC1=C(OC)C=C(CS)C=C1

IUPAC: (3,4-dimethoxyphenyl)methanethiol

InChI: InChI=1S/C9H12O2S/c1-10-8-4-3-7(6-12)5-9(8)11-2/h3-5,12H,6H2,1-2H3

Composition: C (58.67%), H (6.56%), O (17.37%), S (17.40%)

Molar Mass: 184.25

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.0558008
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LCYWBZHEAHZANR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.83
Topological Polar Surface Area	18.46
Polarizability	20.26
Ring Count	1
Rotatable Bond Count	3

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