Home Other Building Blocks Pentane, 3-isothiocyanato-

Pentane, 3-isothiocyanato-

CAS No.:
201224-89-7
Catalog Number:
AG002DAH
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$84
- +
5g
98%
1 week
United States
$175
- +
Product Description
Catalog Number:
AG002DAH
Chemical Name:
Pentane, 3-isothiocyanato-
CAS Number:
201224-89-7
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD00060395
IUPAC Name:
3-isothiocyanatopentane
InChI:
InChI=1S/C6H11NS/c1-3-6(4-2)7-5-8/h6H,3-4H2,1-2H3
InChI Key:
YDRYFNXKCXDLPP-UHFFFAOYSA-N
SMILES:
CCC(N=C=S)CC
Properties
Complexity:
90.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.221g/mol
Monoisotopic Mass:
129.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties