2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol

C10H16S — CID 15410528

IUPAC2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol
SMILESC=C(C)C1CC=C(C)C(S)C1
InChIInChI=1S/C10H16S/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
InChIKeyDDKVMPJZNFPWBC-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.22
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol

2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol (PubChem CID 15410528) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol
PubChem CID15410528
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol
SMILESC=C(C)C1CC=C(C)C(S)C1
InChIInChI=1S/C10H16S/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
InChIKeyDDKVMPJZNFPWBC-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol?
The IUPAC name of 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol (CID 15410528) is 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol?
The canonical SMILES for 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol is C=C(C)C1CC=C(C)C(S)C1.
What is the InChIKey of 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol?
The InChIKey is DDKVMPJZNFPWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol?
2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol has a molecular weight of 168.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol is sourced from PubChem (CID 15410528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).