1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole

C7H13PS — CID 18968282

IUPAC1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
SMILESCCP1(=S)CC=C(C)C1
InChIInChI=1S/C7H13PS/c1-3-8(9)5-4-7(2)6-8/h4H,3,5-6H2,1-2H3
InChIKeyCZDRFYNHTBGGAH-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.45
Rot. Bonds1

About 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole

1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole (PubChem CID 18968282) has the molecular formula C7H13PS and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
PubChem CID18968282
Molecular FormulaC7H13PS
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
SMILESCCP1(=S)CC=C(C)C1
InChIInChI=1S/C7H13PS/c1-3-8(9)5-4-7(2)6-8/h4H,3,5-6H2,1-2H3
InChIKeyCZDRFYNHTBGGAH-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole 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

1H-Phosphole, 1-chloro-2,5-dihydro-3-methyl-
CID 2784489
1-Methyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 21678145
1,3,4-Trimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 14062607
1,3-Dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 14062608
1,1,1-Trichloro-3-methyl-2,5-dihydro-1lambda5-phosphole
CID 11041900
1-Ethyl-3-methyl-2,5-dihydrophosphole
CID 18974455
3-Methyl-3-phospholene
CID 90698444
1H-Phosphole, 2,5-dihydro-1,3-dimethyl-
CID 567441
3-Methyl-1-propyl-2,5-dihydrophosphole
CID 15779674
1-Butyl-3-methyl-2,5-dihydrophosphole
CID 134862414
1,1-Dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride
CID 158901595
1-Butyl-3-methyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 164683766

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
The IUPAC name of 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole (CID 18968282) is 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole.
What is the SMILES notation for 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
The canonical SMILES for 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole is CCP1(=S)CC=C(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
The InChIKey is CZDRFYNHTBGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13PS/c1-3-8(9)5-4-7(2)6-8/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole has a molecular weight of 160.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole is sourced from PubChem (CID 18968282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).