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1228600-38-1 | Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-, hydrochloride (1:2)
CAS No: 1228600-38-1 Catalog No: AG000JN1 MDL No:
Product Description
Catalog Number:
AG000JN1
Chemical Name:
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-, hydrochloride (1:2)
CAS Number:
1228600-38-1
Molecular Formula:
C8H12Cl2N2O2S
Molecular Weight:
271.1641
IUPAC Name:
2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C8H10N2O2S.2ClH/c9-7-6(8(11)12)4-1-2-10-3-5(4)13-7;;/h10H,1-3,9H2,(H,11,12);2*1H
InChI Key:
WZSYZPSOZKSUHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)sc2c1CCNC2.Cl.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
271.156g/mol
Monoisotopic Mass:
270g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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