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202824-07-5

202824-07-5 | 1-Octanethiol, 8-bromo-

CAS No: 202824-07-5 Catalog No: AG0028G4 MDL No:

Product Description

Catalog Number:
AG0028G4
Chemical Name:
1-Octanethiol, 8-bromo-
CAS Number:
202824-07-5
Molecular Formula:
C8H17BrS
Molecular Weight:
225.1896
IUPAC Name:
8-bromooctane-1-thiol
InChI:
InChI=1S/C8H17BrS/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChI Key:
HRJRKWIXCKJRIM-UHFFFAOYSA-N
SMILES:
SCCCCCCCCBr

Properties

Complexity:
57.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.188g/mol
Monoisotopic Mass:
224.023g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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