2,3,4,5-tetramethylcyclohexene-1-thiol

C10H18S — CID 142867217

IUPAC2,3,4,5-tetramethylcyclohexene-1-thiol
SMILESCC1=C(S)CC(C)C(C)C1C
InChIInChI=1S/C10H18S/c1-6-5-10(11)9(4)8(3)7(6)2/h6-8,11H,5H2,1-4H3
InChIKeyWLFAAICZURRKSU-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.50
Rot. Bonds

About 2,3,4,5-tetramethylcyclohexene-1-thiol

2,3,4,5-tetramethylcyclohexene-1-thiol (PubChem CID 142867217) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,3,4,5-tetramethylcyclohexene-1-thiol.

Molecular Properties

Compound Name2,3,4,5-tetramethylcyclohexene-1-thiol
PubChem CID142867217
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,3,4,5-tetramethylcyclohexene-1-thiol
SMILESCC1=C(S)CC(C)C(C)C1C
InChIInChI=1S/C10H18S/c1-6-5-10(11)9(4)8(3)7(6)2/h6-8,11H,5H2,1-4H3
InChIKeyWLFAAICZURRKSU-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
(1Z,6Z)-2,3,4-trimethylcycloocta-1,6-diene-1-thiol
CID 130372048
(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
CID 91251322
1,2,3,4-tetramethylcyclobutene
CID 565395
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
CID 91386552
1,2,4,7,8,9-hexamethylcyclonona-1,4-diene
CID 123566632
1,3,4,5-tetramethylcyclohexene
CID 12751050
N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine
CID 163603149
CID 90712882
CID 90712882
N-methyl-N-(3,5,6-trimethylcyclohex-2-en-1-yl)hydroxylamine
CID 20651790
1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
CID 59930804

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylcyclohexene-1-thiol?
The IUPAC name of 2,3,4,5-tetramethylcyclohexene-1-thiol (CID 142867217) is 2,3,4,5-tetramethylcyclohexene-1-thiol.
What is the SMILES notation for 2,3,4,5-tetramethylcyclohexene-1-thiol?
The canonical SMILES for 2,3,4,5-tetramethylcyclohexene-1-thiol is CC1=C(S)CC(C)C(C)C1C.
What is the InChIKey of 2,3,4,5-tetramethylcyclohexene-1-thiol?
The InChIKey is WLFAAICZURRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-6-5-10(11)9(4)8(3)7(6)2/h6-8,11H,5H2,1-4H3.
What are the key properties of 2,3,4,5-tetramethylcyclohexene-1-thiol?
2,3,4,5-tetramethylcyclohexene-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylcyclohexene-1-thiol is sourced from PubChem (CID 142867217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).