2-[(phenylcarbamothioyl)amino]butanoic acid

2-[(phenylcarbamothioyl)amino]butanoic acid

CAS: 329915-42-6

Formula: C11H14N2O2S

SMILES: CCC(NC(=S)NC1=CC=CC=C1)C(O)=O

IUPAC: 2-[(phenylcarbamothioyl)amino]butanoic acid

InChI: InChI=1/C11H14N2O2S/c1-2-9(10(14)15)13-11(16)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,14,15)(H2,12,13,16)

Composition: C (55.44%), H (5.92%), N (11.76%), O (13.43%), S (13.45%)

Molar Mass: 238.31

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	238.077598873
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	RBMNONSSGXKLRI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.59
Topological Polar Surface Area	61.36
Polarizability	25.75
Ring Count	1
Rotatable Bond Count	4

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