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737761-98-7 | (S)-(+)-2-Octyl isothiocyanate
CAS No: 737761-98-7 Catalog No: AG01FHAB MDL No:
Product Description
Catalog Number:
AG01FHAB
Chemical Name:
(S)-(+)-2-Octyl isothiocyanate
CAS Number:
737761-98-7
IUPAC Name:
(2S)-2-isothiocyanatooctane
InChI:
InChI=1S/C9H17NS/c1-3-4-5-6-7-9(2)10-8-11/h9H,3-7H2,1-2H3/t9-/m0/s1
InChI Key:
RXAAZXUXIQEORL-VIFPVBQESA-N
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
6
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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