4-methyl-1,2-dithiolane-4-carboxylic acid

4-methyl-1,2-dithiolane-4-carboxylic acid

CAS: 208243-72-5

Formula: C5H8O2S2

SMILES: CC1(CSSC1)C(O)=O

IUPAC: 4-methyl-1,2-dithiolane-4-carboxylic acid

InChI: InChI=1S/C5H8O2S2/c1-5(4(6)7)2-8-9-3-5/h2-3H2,1H3,(H,6,7)

Composition: C (36.57%), H (4.91%), O (19.48%), S (39.04%)

Molar Mass: 164.24

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	163.996571846
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CDYNUBURGFMPLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.46
Topological Polar Surface Area	37.3
Polarizability	15.94
Ring Count	1
Rotatable Bond Count	1

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