3-(carbamothioylamino)propanoic acid

3-(carbamothioylamino)propanoic acid

CAS: 5398-29-8

Formula: C4H8N2O2S

SMILES: NC(=S)NCCC(O)=O

IUPAC: 3-(carbamothioylamino)propanoic acid

InChI: InChI=1S/C4H8N2O2S/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)

Composition: C (32.42%), H (5.44%), N (18.91%), O (21.59%), S (21.64%)

Molar Mass: 148.18

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	148.03064868
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	IQSKZUZFUMDBAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.81
Topological Polar Surface Area	75.35
Polarizability	14.38
Ring Count	0
Rotatable Bond Count	3

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