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Home > Other Heterocycles > 89730-38-1
89730-38-1 | Bicyclo[2.2.1]heptane-2-thione, 3-(methylthio)-
CAS No: 89730-38-1 Catalog No: AG0041XP MDL No:
Product Description
Catalog Number:
AG0041XP
Chemical Name:
Bicyclo[2.2.1]heptane-2-thione, 3-(methylthio)-
CAS Number:
89730-38-1
Molecular Formula:
C8H12S2
Molecular Weight:
172.3109
IUPAC Name:
3-methylsulfanylbicyclo[2.2.1]heptane-2-thione
InChI:
InChI=1S/C8H12S2/c1-10-8-6-3-2-5(4-6)7(8)9/h5-6,8H,2-4H2,1H3
InChI Key:
LXNXFLRDWFILPP-UHFFFAOYSA-N
SMILES:
CSC1C2CCC(C1=S)C2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.304g/mol
Monoisotopic Mass:
172.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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