Home Carboxys 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid hydrochloride

3-[(dimethylamino)methyl]thiophene-2-carboxylic acid hydrochloride

CAS No.:
1384428-49-2
Catalog Number:
AG019ZCG
Molecular Formula:
C8H12ClNO2S
Molecular Weight:
221.7044
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Product Description
Catalog Number:
AG019ZCG
Chemical Name:
3-[(dimethylamino)methyl]thiophene-2-carboxylic acid hydrochloride
CAS Number:
1384428-49-2
Molecular Formula:
C8H12ClNO2S
Molecular Weight:
221.7044
MDL Number:
MFCD22369902
IUPAC Name:
3-[(dimethylamino)methyl]thiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H11NO2S.ClH/c1-9(2)5-6-3-4-12-7(6)8(10)11;/h3-4H,5H2,1-2H3,(H,10,11);1H
InChI Key:
ZNRCBRUYYNMHDT-UHFFFAOYSA-N
SMILES:
CN(Cc1ccsc1C(=O)O)C.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.699g/mol
Monoisotopic Mass:
221.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties