(2S)-2-amino-3-(sulfanylcarbamoyl)propanoic acid

(2S)-2-amino-3-(sulfanylcarbamoyl)propanoic acid

CAS: 2072-71-1

Formula: C4H8N2O3S

SMILES: N[C@@H](CC(=O)NS)C(O)=O

IUPAC: (2S)-2-amino-3-(sulfanylcarbamoyl)propanoic acid

InChI: InChI=1S/C4H8N2O3S/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

Composition: C (29.26%), H (4.91%), N (17.06%), O (29.23%), S (19.53%)

Molar Mass: 164.18

Atom Count: 18

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	164.0255633
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	XIQSDJATPSOWKM-REOHCLBHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.11
Topological Polar Surface Area	92.42
Polarizability	14.6
Ring Count	0
Rotatable Bond Count	3

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