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338778-15-7 | 5-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
CAS No: 338778-15-7 Catalog No: AG00IR44 MDL No:MFCD00232125
Product Description
Catalog Number:
AG00IR44
Chemical Name:
5-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
CAS Number:
338778-15-7
Molecular Formula:
C13H12N2S2
Molecular Weight:
260.3778
MDL Number:
MFCD00232125
IUPAC Name:
5-methyl-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C13H12N2S2/c1-9-3-5-11(6-4-9)8-16-13-12(7-14)10(2)17-15-13/h3-6H,8H2,1-2H3
InChI Key:
KVMOSXBFOCPTTB-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCc2ccc(cc2)C)nsc1C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.373g/mol
Monoisotopic Mass:
260.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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