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831225-30-0 | 4,7-Methano-1H-indene-2,5-dimethanethiol, octahydro-
CAS No: 831225-30-0 Catalog No: AG004W3I MDL No:
Product Description
Catalog Number:
AG004W3I
Chemical Name:
4,7-Methano-1H-indene-2,5-dimethanethiol, octahydro-
CAS Number:
831225-30-0
Molecular Formula:
C12H20S2
Molecular Weight:
228.4172
IUPAC Name:
[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
InChI:
InChI=1S/C12H20S2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2
InChI Key:
XPXJIZLGSVGHRG-UHFFFAOYSA-N
SMILES:
SCC1CC2C(C1)C1CC2C(C1)CS
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.412g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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