2-(4,5-dihydro-1H-imidazol-2-ylamino)-4-(methylsulfanyl)butanoic acid hydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylamino)-4-(methylsulfanyl)butanoic acid hydrochloride

CAS: 1396964-67-2

Formula: C8H16ClN3O2S

SMILES: Cl.CSCCC(NC1=NCCN1)C(O)=O

IUPAC: 2-[(4,5-dihydro-1H-imidazol-2-yl)amino]-4-(methylsulfanyl)butanoic acid hydrochloride

InChI: InChI=1/C8H15N3O2S.ClH/c1-14-5-2-6(7(12)13)11-8-9-3-4-10-8;/h6H,2-5H2,1H3,(H,12,13)(H2,9,10,11);1H

Composition: C (37.87%), H (6.36%), Cl (13.97%), N (16.56%), O (12.61%), S (12.63%)

Molar Mass: 253.75

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	253.0651756
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	AOEROCMNNBHZPD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.59
Topological Polar Surface Area	73.72
Polarizability	21.38
Ring Count	1
Rotatable Bond Count	5

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