2-(3,4-difluorophenyl)ethanethioic S-acid

2-(3,4-difluorophenyl)ethanethioic S-acid

Formula: C8H6F2OS

SMILES: FC1=C(F)C=C(CC(S)=O)C=C1

IUPAC: 2-(3,4-difluorophenyl)ethanethioic S-acid

InChI: InChI=1S/C8H6F2OS/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)

Composition: C (51.06%), H (3.21%), F (20.19%), O (8.50%), S (17.04%)

Molar Mass: 188.19

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.010742313
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SIDMAKLLOODHQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.21
Topological Polar Surface Area	17.07
Polarizability	16.62
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H6F2OS		Quote Only