Home Other Building Blocks Pentane, 2-isothiocyanato-2,4,4-trimethyl-

Pentane, 2-isothiocyanato-2,4,4-trimethyl-

CAS No.:
17701-76-7
Catalog Number:
AG002525
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
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Product Description
Catalog Number:
AG002525
Chemical Name:
Pentane, 2-isothiocyanato-2,4,4-trimethyl-
CAS Number:
17701-76-7
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD00004817
IUPAC Name:
2-isothiocyanato-2,4,4-trimethylpentane
InChI:
InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChI Key:
KUGHMFIBHMZICO-UHFFFAOYSA-N
SMILES:
S=C=NC(CC(C)(C)C)(C)C
EC Number:
241-710-2
NSC Number:
65473
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.108g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.302g/mol
Monoisotopic Mass:
171.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties