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24540-94-1 | Decane, 1-isothiocyanato-
CAS No: 24540-94-1 Catalog No: AG002OHP MDL No:MFCD00041120
Product Description
Catalog Number:
AG002OHP
Chemical Name:
Decane, 1-isothiocyanato-
CAS Number:
24540-94-1
Molecular Formula:
C11H21NS
Molecular Weight:
199.3561
MDL Number:
MFCD00041120
IUPAC Name:
1-isothiocyanatodecane
InChI:
InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3
InChI Key:
HFWWGJSMDPUEFD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCN=C=S
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.139g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.356g/mol
Monoisotopic Mass:
199.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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