Home Other Building Blocks 2-[(1H-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride

2-[(1H-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride

CAS No.:
1311314-29-0
Catalog Number:
AG01AH64
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
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Product Description
Catalog Number:
AG01AH64
Chemical Name:
2-[(1H-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride
CAS Number:
1311314-29-0
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
MDL Number:
MFCD18483218
IUPAC Name:
2-(1H-imidazol-2-ylmethylsulfanyl)acetic acid;hydrochloride
InChI:
InChI=1S/C6H8N2O2S.ClH/c9-6(10)4-11-3-5-7-1-2-8-5;/h1-2H,3-4H2,(H,7,8)(H,9,10);1H
InChI Key:
VZQGBHMDZKIFCG-UHFFFAOYSA-N
SMILES:
OC(=O)CSCc1ncc[nH]1.Cl
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
208.66g/mol
Monoisotopic Mass:
208.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties