(3R)-3-pent-4-enylthiane

C10H18S — CID 131230053

IUPAC(3R)-3-pent-4-enylthiane
SMILESC=CCCC[C@@H]1CCCSC1
InChIInChI=1S/C10H18S/c1-2-3-4-6-10-7-5-8-11-9-10/h2,10H,1,3-9H2/t10-/m1/s1
InChIKeyVKAZEPBRPQIIIM-SNVBAGLBSA-N
MW170.32 g/mol
LogP3.49
Rot. Bonds4

About (3R)-3-pent-4-enylthiane

(3R)-3-pent-4-enylthiane (PubChem CID 131230053) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (3R)-3-pent-4-enylthiane.

Molecular Properties

Compound Name(3R)-3-pent-4-enylthiane
PubChem CID131230053
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(3R)-3-pent-4-enylthiane
SMILESC=CCCC[C@@H]1CCCSC1
InChIInChI=1S/C10H18S/c1-2-3-4-6-10-7-5-8-11-9-10/h2,10H,1,3-9H2/t10-/m1/s1
InChIKeyVKAZEPBRPQIIIM-SNVBAGLBSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-pent-4-enylthiane with MolForge

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

Launch Full Analysis

Related Compounds

1-Pentylsulfanylethenylcyclohexane
CID 58150596
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(2R,3R,6R)-3-ethenyl-2-[(E)-pent-1-enyl]-6-propan-2-ylthiane
CID 134945755
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
2-(But-3-en-1-yl)thiane
CID 12350945
3-Prop-2-enylthiane
CID 130067813
2-(thian-3-yl)-3,4-dihydro-2H-thiopyran
CID 20475573
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
9-(2-Methylpropylsulfanyl)non-1-ene
CID 23466633
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
4-Ethyl-2-prop-2-enylthiane
CID 54118197

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pent-4-enylthiane?
The IUPAC name of (3R)-3-pent-4-enylthiane (CID 131230053) is (3R)-3-pent-4-enylthiane.
What is the SMILES notation for (3R)-3-pent-4-enylthiane?
The canonical SMILES for (3R)-3-pent-4-enylthiane is C=CCCC[C@@H]1CCCSC1.
What is the InChIKey of (3R)-3-pent-4-enylthiane?
The InChIKey is VKAZEPBRPQIIIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18S/c1-2-3-4-6-10-7-5-8-11-9-10/h2,10H,1,3-9H2/t10-/m1/s1.
What are the key properties of (3R)-3-pent-4-enylthiane?
(3R)-3-pent-4-enylthiane has a molecular weight of 170.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pent-4-enylthiane is sourced from PubChem (CID 131230053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).