200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 21101-58-6
21101-58-6 | Phenol, 4-[(2-nitrophenyl)dithio]-
CAS No: 21101-58-6 Catalog No: AG002L42 MDL No:
Product Description
Catalog Number:
AG002L42
Chemical Name:
Phenol, 4-[(2-nitrophenyl)dithio]-
CAS Number:
21101-58-6
Molecular Formula:
C12H9NO3S2
Molecular Weight:
279.3348
IUPAC Name:
4-[(2-nitrophenyl)disulfanyl]phenol
InChI:
InChI=1S/C12H9NO3S2/c14-9-5-7-10(8-6-9)17-18-12-4-2-1-3-11(12)13(15)16/h1-8,14H
InChI Key:
CYPOHDDALWXPEU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)SSc1ccccc1[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:
279.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.328g/mol
Monoisotopic Mass:
279.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.