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22572-33-4 | S-Benzylcysteamine hydrochloride
CAS No: 22572-33-4 Catalog No: AG003U7F MDL No:MFCD00191774
Product Description
Catalog Number:
AG003U7F
Chemical Name:
S-Benzylcysteamine hydrochloride
CAS Number:
22572-33-4
Molecular Formula:
C9H14ClNS
Molecular Weight:
203.7322
MDL Number:
MFCD00191774
IUPAC Name:
2-benzylsulfanylethanamine;hydrochloride
InChI:
InChI=1S/C9H13NS.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H
InChI Key:
XZXIWQYIVDFDSP-UHFFFAOYSA-N
SMILES:
NCCSCc1ccccc1.Cl
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.728g/mol
Monoisotopic Mass:
203.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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