Home Other Building Blocks 6-METHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID HYDROC+

6-METHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID HYDROC+

CAS No.:
1065065-54-4
Catalog Number:
AG01DX9P
Molecular Formula:
C9H12ClNO2S
Molecular Weight:
233.7151
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Product Description
Catalog Number:
AG01DX9P
Chemical Name:
6-METHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID HYDROC+
CAS Number:
1065065-54-4
Molecular Formula:
C9H12ClNO2S
Molecular Weight:
233.7151
MDL Number:
MFCD22571273
IUPAC Name:
6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H11NO2S.ClH/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;/h4H,2-3,5H2,1H3,(H,11,12);1H
InChI Key:
XMPRULRIZDXROC-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)sc(c2)C(=O)O.Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.71g/mol
Monoisotopic Mass:
233.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties