methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl]propanoate

CAS: 4131-74-2

Formula: C8H14O4S

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

IUPAC: methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl]propanoate

InChI: InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3

Composition: C (46.59%), H (6.84%), O (31.03%), S (15.54%)

Molar Mass: 206.26

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	206.061280105
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MYWWWNVEZBAKHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.1
Topological Polar Surface Area	52.6
Polarizability	20.13
Ring Count	0
Rotatable Bond Count	8

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