200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 101670-67-1
101670-67-1 | Benzene, 1,3,5-triisothiocyanato-
CAS No: 101670-67-1 Catalog No: AG00055V MDL No:
Product Description
Catalog Number:
AG00055V
Chemical Name:
Benzene, 1,3,5-triisothiocyanato-
CAS Number:
101670-67-1
Molecular Formula:
C9H3N3S3
Molecular Weight:
249.3352
IUPAC Name:
1,3,5-triisothiocyanatobenzene
InChI:
InChI=1S/C9H3N3S3/c13-4-10-7-1-8(11-5-14)3-9(2-7)12-6-15/h1-3H
InChI Key:
LLJPDGVAIMDGFS-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(N=C=S)cc(c1)N=C=S
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.949g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.324g/mol
Monoisotopic Mass:
248.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.