cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane

C12H24S2 — CID 6427461

IUPACcis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane
SMILESCS[C@H]1CC(C(C)C)CC[C@]1(C)SC
InChIInChI=1S/C12H24S2/c1-9(2)10-6-7-12(3,14-5)11(8-10)13-4/h9-11H,6-8H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyQZBLXHCJEOLPQK-RAMGSTBQSA-N
MW232.46 g/mol
LogP4.30
Rot. Bonds3

About cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane

cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane (PubChem CID 6427461) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane
PubChem CID6427461
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Namecis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane
SMILESCS[C@H]1CC(C(C)C)CC[C@]1(C)SC
InChIInChI=1S/C12H24S2/c1-9(2)10-6-7-12(3,14-5)11(8-10)13-4/h9-11H,6-8H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyQZBLXHCJEOLPQK-RAMGSTBQSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
The IUPAC name of cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane (CID 6427461) is cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane is CS[C@H]1CC(C(C)C)CC[C@]1(C)SC.
What is the InChIKey of cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
The InChIKey is QZBLXHCJEOLPQK-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H24S2/c1-9(2)10-6-7-12(3,14-5)11(8-10)13-4/h9-11H,6-8H2,1-5H3/t10?,11-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane has a molecular weight of 232.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-1,2-bis(methylsulfanyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 6427461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).