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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Related Compounds

1,5-Dithiaspiro[5.5]undecane, 10-methyl-7-(1-methylethyl)-
CID 594637
9-Methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 12794267
p-Menth-3-yl methyl sulphide
CID 12326071
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] thiocyanate
CID 11008891
(6s,9r)-6-(1-Methylethyl)-9methyl-1,4-dithiaspiro[4,5]decane
CID 11107170
(1S,2S,4R)-4-methyl-2-methylsulfanyl-1-propan-2-ylcyclohexane
CID 12326074
(6R,9S)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 101998925
(8S,11R)-8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane
CID 101998926
Methyl(2-(4-methyl-3-(methylthio)cyclohexyl)propyl)sulfane
CID 134128385
(9R)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 134986345
Cyclohexane, cis-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio)
CID 6427462
Cyclohexane, trans-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio)
CID 6427463

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).