trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane

C10H18S — CID 130183505

IUPACtrimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane
SMILESC[C@@H]1C=CC=C(S(C)(C)C)C1
InChIInChI=1S/C10H18S/c1-9-6-5-7-10(8-9)11(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m1/s1
InChIKeyZSQXXWMWENQJJJ-SECBINFHSA-N
MW170.32 g/mol
LogP3.16
Rot. Bonds1

About trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane

trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane (PubChem CID 130183505) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane
PubChem CID130183505
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Nametrimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane
SMILESC[C@@H]1C=CC=C(S(C)(C)C)C1
InChIInChI=1S/C10H18S/c1-9-6-5-7-10(8-9)11(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m1/s1
InChIKeyZSQXXWMWENQJJJ-SECBINFHSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane?
The IUPAC name of trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane (CID 130183505) is trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane?
The canonical SMILES for trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane is C[C@@H]1C=CC=C(S(C)(C)C)C1.
What is the InChIKey of trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane?
The InChIKey is ZSQXXWMWENQJJJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H18S/c1-9-6-5-7-10(8-9)11(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m1/s1.
What are the key properties of trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane?
trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane has a molecular weight of 170.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-λ4-sulfane is sourced from PubChem (CID 130183505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).