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3-[(acetamidomethyl)sulfanyl]propanoic acid

3-[(acetamidomethyl)sulfanyl]propanoic acid

CAS: 52574-08-0

Formula: C6H11NO3S

SMILES: CC(=O)NCSCCC(O)=O

IUPAC: 3-[(acetamidomethyl)sulfanyl]propanoic acid

InChI: InChI=1S/C6H11NO3S/c1-5(8)7-4-11-3-2-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)

Composition: C (40.67%), H (6.26%), N (7.90%), O (27.08%), S (18.09%)

Molar Mass: 177.22

Atom Count: 22

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 177.045964392
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MTYMWQMQMYUQBD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.26
Topological Polar Surface Area 66.4
Polarizability 16.67
Ring Count 0
Rotatable Bond Count 5

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