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338413-23-3 | 5-methyl-3-(pyrimidin-2-ylsulfanyl)-1,2-thiazole-4-carbonitrile
CAS No: 338413-23-3 Catalog No: AG00ISPT MDL No:MFCD00244338
Product Description
Catalog Number:
AG00ISPT
Chemical Name:
5-methyl-3-(pyrimidin-2-ylsulfanyl)-1,2-thiazole-4-carbonitrile
CAS Number:
338413-23-3
Molecular Formula:
C9H6N4S2
Molecular Weight:
234.3007
MDL Number:
MFCD00244338
IUPAC Name:
5-methyl-3-pyrimidin-2-ylsulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C9H6N4S2/c1-6-7(5-10)8(13-15-6)14-9-11-3-2-4-12-9/h2-4H,1H3
InChI Key:
QECWAWICAGNJHR-UHFFFAOYSA-N
SMILES:
N#Cc1c(nsc1C)Sc1ncccn1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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