Home Other Building Blocks Pentane, 2-isothiocyanato-

Pentane, 2-isothiocyanato-

CAS No.:
201224-94-4
Catalog Number:
AG002DAF
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$73
- +
5g
98%
1 week
United States
$112
- +
25g
98%
1 week
United States
$259
- +
100g
98%
1 week
United States
$698
- +
Product Description
Catalog Number:
AG002DAF
Chemical Name:
Pentane, 2-isothiocyanato-
CAS Number:
201224-94-4
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD00060396
IUPAC Name:
2-isothiocyanatopentane
InChI:
InChI=1S/C6H11NS/c1-3-4-6(2)7-5-8/h6H,3-4H2,1-2H3
InChI Key:
SQBOSXLLKLBNSH-UHFFFAOYSA-N
SMILES:
CC(N=C=S)CCC
Properties
Complexity:
94.7  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties