1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole

C6H11PS — CID 14062608

IUPAC1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
SMILESCC1=CCP(C)(=S)C1
InChIInChI=1S/C6H11PS/c1-6-3-4-7(2,8)5-6/h3H,4-5H2,1-2H3
InChIKeyFQZLXTWWTPLEQS-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.06
Rot. Bonds

About 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole

1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole (PubChem CID 14062608) has the molecular formula C6H11PS and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole.

Molecular Properties

Compound Name1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
PubChem CID14062608
Molecular FormulaC6H11PS
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
SMILESCC1=CCP(C)(=S)C1
InChIInChI=1S/C6H11PS/c1-6-3-4-7(2,8)5-6/h3H,4-5H2,1-2H3
InChIKeyFQZLXTWWTPLEQS-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.06
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'}

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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
1,1,1-Trichloro-3-methyl-2,5-dihydro-1lambda5-phosphole
CID 11041900
1-Ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 18968282
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 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole?
The IUPAC name of 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole (CID 14062608) is 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole.
What is the SMILES notation for 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole?
The canonical SMILES for 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole is CC1=CCP(C)(=S)C1.
What is the InChIKey of 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole?
The InChIKey is FQZLXTWWTPLEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11PS/c1-6-3-4-7(2,8)5-6/h3H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole?
1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole has a molecular weight of 146.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole is sourced from PubChem (CID 14062608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).