200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 866138-10-5
866138-10-5 | 4-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine
CAS No: 866138-10-5 Catalog No: AG00IZ1C MDL No:MFCD02149082
Product Description
Catalog Number:
AG00IZ1C
Chemical Name:
4-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine
CAS Number:
866138-10-5
Molecular Formula:
C12H11N3O2S
Molecular Weight:
261.2996
MDL Number:
MFCD02149082
IUPAC Name:
4-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine
InChI:
InChI=1S/C12H11N3O2S/c1-9-6-7-13-12(14-9)18-8-10-2-4-11(5-3-10)15(16)17/h2-7H,8H2,1H3
InChI Key:
JVWSQCKKVSZJIJ-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)SCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.299g/mol
Monoisotopic Mass:
261.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.