methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetate

methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetate

CAS: 16002-29-2

Formula: C6H10O4S

SMILES: COC(=O)CSCC(=O)OC

IUPAC: methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetate

InChI: InChI=1S/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3

Composition: C (40.44%), H (5.66%), O (35.91%), S (17.99%)

Molar Mass: 178.2

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	178.029979976
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZQUQLLPRRJVUES-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.89
Topological Polar Surface Area	52.6
Polarizability	16.5
Ring Count	0
Rotatable Bond Count	6

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