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Home > Other Heterocycles > 831225-31-1
831225-31-1 | Bicyclo[2.2.1]heptane-2,2-dimethanethiol
CAS No: 831225-31-1 Catalog No: AG005126 MDL No:
Product Description
Catalog Number:
AG005126
Chemical Name:
Bicyclo[2.2.1]heptane-2,2-dimethanethiol
CAS Number:
831225-31-1
Molecular Formula:
C9H16S2
Molecular Weight:
188.3533
IUPAC Name:
[2-(sulfanylmethyl)-2-bicyclo[2.2.1]heptanyl]methanethiol
InChI:
InChI=1S/C9H16S2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8,10-11H,1-6H2
InChI Key:
URAGDHSBDAUQMW-UHFFFAOYSA-N
SMILES:
SCC1(CS)CC2CC1CC2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.347g/mol
Monoisotopic Mass:
188.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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