200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 680212-98-0
680212-98-0 | 2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE
CAS No: 680212-98-0 Catalog No: AG005NWT MDL No:
Product Description
Catalog Number:
AG005NWT
Chemical Name:
2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE
CAS Number:
680212-98-0
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
IUPAC Name:
1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene
InChI:
InChI=1S/C14H18N2O2S/c1-8-9(2)12(15-7-19)11(14(4,5)6)13(10(8)3)16(17)18/h1-6H3
InChI Key:
LQLDAXFXXOENFH-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)c(C)c(c(c1C(C)(C)C)[N+](=O)[O-])C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.37g/mol
Monoisotopic Mass:
278.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.