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1255099-52-5 | Pyrido[4,3-d]pyrimidine, 5-chloro-2-(methylthio)-
CAS No: 1255099-52-5 Catalog No: AG000NSD MDL No:MFCD17926271
Product Description
Catalog Number:
AG000NSD
Chemical Name:
Pyrido[4,3-d]pyrimidine, 5-chloro-2-(methylthio)-
CAS Number:
1255099-52-5
Molecular Formula:
C8H6ClN3S
Molecular Weight:
211.6713
MDL Number:
MFCD17926271
IUPAC Name:
5-chloro-2-methylsulfanylpyrido[4,3-d]pyrimidine
InChI:
InChI=1S/C8H6ClN3S/c1-13-8-11-4-5-6(12-8)2-3-10-7(5)9/h2-4H,1H3
InChI Key:
PLQLDJOSXAPLFB-UHFFFAOYSA-N
SMILES:
CSc1nc2ccnc(c2cn1)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.667g/mol
Monoisotopic Mass:
210.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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