2-sulfanylbutanoic acid

2-sulfanylbutanoic acid

CAS: 26473-48-3

Formula: C4H8O2S

SMILES: CCC(S)C(O)=O

IUPAC: 2-sulfanylbutanoic acid

InChI: InChI=1/C4H8O2S/c1-2-3(7)4(5)6/h3,7H,2H2,1H3,(H,5,6)

Composition: C (39.98%), H (6.71%), O (26.63%), S (26.68%)

Molar Mass: 120.17

Atom Count: 15

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	120.024500672
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CFPHMAVQAJGVPV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.49
Topological Polar Surface Area	37.3
Polarizability	11.71
Ring Count	0
Rotatable Bond Count	2

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