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1452518-88-5 | 2-Thiophenecarboxylic acid, 4,5-diamino-, methyl ester, hydrochloride (1:2)
CAS No: 1452518-88-5 Catalog No: AG001KQ4 MDL No:MFCD23703081
Product Description
Catalog Number:
AG001KQ4
Chemical Name:
2-Thiophenecarboxylic acid, 4,5-diamino-, methyl ester, hydrochloride (1:2)
CAS Number:
1452518-88-5
Molecular Formula:
C6H10Cl2N2O2S
Molecular Weight:
245.1268
MDL Number:
MFCD23703081
IUPAC Name:
methyl 4,5-diaminothiophene-2-carboxylate;dihydrochloride
InChI:
InChI=1S/C6H8N2O2S.2ClH/c1-10-6(9)4-2-3(7)5(8)11-4;;/h2H,7-8H2,1H3;2*1H
InChI Key:
YDLQRAQFZCQSQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1)N)N.Cl.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.118g/mol
Monoisotopic Mass:
243.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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