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763-20-2 | 2-Heptanethiol,2-methyl-
CAS No: 763-20-2 Catalog No: AG005E6L MDL No:
Product Description
Catalog Number:
AG005E6L
Chemical Name:
2-Heptanethiol,2-methyl-
CAS Number:
763-20-2
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
IUPAC Name:
2-methylheptane-2-thiol
InChI:
InChI=1S/C8H18S/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
InChI Key:
KSTAKRCVPORMCA-UHFFFAOYSA-N
SMILES:
CCCCCC(S)(C)C
UN Number:
3023
Properties
Complexity:
67
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:
4
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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