Home Other Building Blocks Benzene, (2-isothiocyanatopropyl)-

Benzene, (2-isothiocyanatopropyl)-

CAS No.:
16220-05-6
Catalog Number:
AG001SVV
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001SVV
Chemical Name:
Benzene, (2-isothiocyanatopropyl)-
CAS Number:
16220-05-6
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD00126014
IUPAC Name:
2-isothiocyanatopropylbenzene
InChI:
InChI=1S/C10H11NS/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChI Key:
AFKRLUUCCIMVQP-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)N=C=S
EC Number:
240-348-2
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties