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130314-21-5 | 2H-Pyrimido[2,1-c][1,2,4]triazine-4-thiol
CAS No: 130314-21-5 Catalog No: AG000UA2 MDL No:MFCD18815012
Product Description
Catalog Number:
AG000UA2
Chemical Name:
2H-Pyrimido[2,1-c][1,2,4]triazine-4-thiol
CAS Number:
130314-21-5
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
MDL Number:
MFCD18815012
IUPAC Name:
2H-pyrimido[2,1-c][1,2,4]triazine-4-thiol
InChI:
InChI=1S/C6H6N4S/c11-5-4-8-9-6-7-2-1-3-10(5)6/h1-4,8,11H
InChI Key:
ZUESFEFDQHZFBP-UHFFFAOYSA-N
SMILES:
Sc1c[nH]nc2n1cccn2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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