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Home > Other Heterocycles > 2025931-15-9
2025931-15-9 | {bicyclo[4.1.0]heptan-3-yl}methanethiol
CAS No: 2025931-15-9 Catalog No: AG01B5SK MDL No:MFCD30344873
Product Description
Catalog Number:
AG01B5SK
Chemical Name:
{bicyclo[4.1.0]heptan-3-yl}methanethiol
CAS Number:
2025931-15-9
Molecular Formula:
C8H14S
Molecular Weight:
142.2618
MDL Number:
MFCD30344873
IUPAC Name:
3-bicyclo[4.1.0]heptanylmethanethiol
InChI:
InChI=1S/C8H14S/c9-5-6-1-2-7-4-8(7)3-6/h6-9H,1-5H2
InChI Key:
COXCNUAHIJVWPW-UHFFFAOYSA-N
SMILES:
SCC1CCC2C(C1)C2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.082g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.26g/mol
Monoisotopic Mass:
142.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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