5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol

C10H18S2 — CID 57238289

IUPAC5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol
SMILESCC=C(C)CSCC=CC(C)S
InChIInChI=1S/C10H18S2/c1-4-9(2)8-12-7-5-6-10(3)11/h4-6,10-11H,7-8H2,1-3H3
InChIKeyUAVRNMBZCIXWKV-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.56
Rot. Bonds5

About 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol

5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol (PubChem CID 57238289) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol.

Molecular Properties

Compound Name5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol
PubChem CID57238289
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol
SMILESCC=C(C)CSCC=CC(C)S
InChIInChI=1S/C10H18S2/c1-4-9(2)8-12-7-5-6-10(3)11/h4-6,10-11H,7-8H2,1-3H3
InChIKeyUAVRNMBZCIXWKV-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol?
The IUPAC name of 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol (CID 57238289) is 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol.
What is the SMILES notation for 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol?
The canonical SMILES for 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol is CC=C(C)CSCC=CC(C)S.
What is the InChIKey of 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol?
The InChIKey is UAVRNMBZCIXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-4-9(2)8-12-7-5-6-10(3)11/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol?
5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol has a molecular weight of 202.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbut-2-enylsulfanyl)pent-3-ene-2-thiol is sourced from PubChem (CID 57238289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).