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1318242-98-6 | Thieno[3,2-d]pyrimidine-7-carboxylic acid, 4-amino-
CAS No: 1318242-98-6 Catalog No: AG000ZSL MDL No:MFCD22571378
Product Description
Catalog Number:
AG000ZSL
Chemical Name:
Thieno[3,2-d]pyrimidine-7-carboxylic acid, 4-amino-
CAS Number:
1318242-98-6
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD22571378
IUPAC Name:
4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid
InChI:
InChI=1S/C7H5N3O2S/c8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChI Key:
XHAMZTOKACCSNT-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1scc2C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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