Home Other Building Blocks 1-Pentanethiol, 2,4,4-trimethyl-, (±)-

1-Pentanethiol, 2,4,4-trimethyl-, (±)-

CAS No.:
110502-19-7
Catalog Number:
AG01FOKQ
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$320
- +
5g
1 week
United States
$921
- +
Product Description
Catalog Number:
AG01FOKQ
Chemical Name:
1-Pentanethiol, 2,4,4-trimethyl-, (±)-
CAS Number:
110502-19-7
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
MDL Number:
MFCD00089639
IUPAC Name:
2,4,4-trimethylpentane-1-thiol
InChI:
InChI=1S/C8H18S/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3
InChI Key:
QBYFFKSXZRCMQR-UHFFFAOYSA-N
SMILES:
SCC(CC(C)(C)C)C
Properties
Complexity:
71.1  
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:
3  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties