Home Carboxys 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid hydrochloride

2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid hydrochloride

CAS No.:
1808580-34-8
Catalog Number:
AG01AM4L
Molecular Formula:
C8H11ClN2O2S
Molecular Weight:
234.7031
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Product Description
Catalog Number:
AG01AM4L
Chemical Name:
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid hydrochloride
CAS Number:
1808580-34-8
Molecular Formula:
C8H11ClN2O2S
Molecular Weight:
234.7031
MDL Number:
MFCD29033878
IUPAC Name:
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H10N2O2S.ClH/c9-8-10-6-4(7(11)12)2-1-3-5(6)13-8;/h4H,1-3H2,(H2,9,10)(H,11,12);1H
InChI Key:
UUWRGZQLLPSDGW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCc2c1nc(s2)N.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.023g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
234.698g/mol
Monoisotopic Mass:
234.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties