Home Other Building Blocks 1-Octanethiol

1-Octanethiol

CAS No.:
111-88-6
Catalog Number:
AG003EGF
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$39
- +
25g
99%(GC)
In Stock USA
United States
$57
- +
100g
99%(GC)
In Stock USA
United States
$108
- +
Product Description
Catalog Number:
AG003EGF
Chemical Name:
1-Octanethiol
CAS Number:
111-88-6
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
MDL Number:
MFCD00004912
IUPAC Name:
octane-1-thiol
InChI:
InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key:
KZCOBXFFBQJQHH-UHFFFAOYSA-N
SMILES:
CCCCCCCCS
EC Number:
203-918-1
UNII:
42GO2PA46L
NSC Number:
41903
UN Number:
1228
Properties
Complexity:
43.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.113g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.292g/mol
Monoisotopic Mass:
146.113g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
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Properties