2-[(1,2-dicarboxyethyl)sulfanyl]butanedioic acid

2-[(1,2-dicarboxyethyl)sulfanyl]butanedioic acid

CAS: 4917-76-4

Formula: C8H10O8S

SMILES: OC(=O)CC(SC(CC(O)=O)C(O)=O)C(O)=O

IUPAC: 2-[(1,2-dicarboxyethyl)sulfanyl]butanedioic acid

InChI: InChI=1/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)

Composition: C (36.09%), H (3.79%), O (48.08%), S (12.04%)

Molar Mass: 266.22

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	266.009638456
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	SASYRHXVHLPMQD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.41
Topological Polar Surface Area	149.2
Polarizability	21.13
Ring Count	0
Rotatable Bond Count	8

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