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110502-19-7

110502-19-7 | 1-Pentanethiol, 2,4,4-trimethyl-, (±)-

CAS No: 110502-19-7 Catalog No: AG01FOKQ MDL No:

Product Description

Catalog Number:
AG01FOKQ
Chemical Name:
1-Pentanethiol, 2,4,4-trimethyl-, (±)-
CAS Number:
110502-19-7
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

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  

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