200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1636-33-5
1636-33-5 | Naphthalene, 2-isothiocyanato-
CAS No: 1636-33-5 Catalog No: AG001U9E MDL No:MFCD00021601
Product Description
Catalog Number:
AG001U9E
Chemical Name:
Naphthalene, 2-isothiocyanato-
CAS Number:
1636-33-5
Molecular Formula:
C11H7NS
Molecular Weight:
185.2450
MDL Number:
MFCD00021601
IUPAC Name:
2-isothiocyanatonaphthalene
InChI:
InChI=1S/C11H7NS/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H
InChI Key:
RTMXPNYHPHIDHX-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc2c(c1)cccc2
UNII:
N2LP7A9XG2
NSC Number:
93938
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.244g/mol
Monoisotopic Mass:
185.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| A predictive ligand-based Bayesian model for human drug-induced liver injury. | Drug metabolism and disposition: the biological fate of chemicals 20101201 |
| Naphthylisothiocyanate disposition in bile and its relationship to liver glutathione and toxicity. | Biochemical pharmacology 19951026 |
| Cholestatic potentials of alpha-naphthylisothiocyanate (ANIT) and beta-naphthylisothiocyanate (BNIT) in the isolated perfused rat liver. | Biochemical pharmacology 19931203 |
| Relationship between alpha-naphthylisothiocyanate-induced liver injury and elevations in hepatic non-protein sulfhydryl content. | Biochemical pharmacology 19910822 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.