dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane

C6H15PS2 — CID 587729

IUPACdipropyl-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCP(=S)(S)CCC
InChIInChI=1S/C6H15PS2/c1-3-5-7(8,9)6-4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyAPCOMOLRCOYWTN-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.13
Rot. Bonds4

About dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane

dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 587729) has the molecular formula C6H15PS2 and a molecular weight of 182.29 g/mol. Its IUPAC name is dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedipropyl-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID587729
Molecular FormulaC6H15PS2
Molecular Weight182.29 g/mol
Exact Mass182.04
IUPAC Namedipropyl-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCP(=S)(S)CCC
InChIInChI=1S/C6H15PS2/c1-3-5-7(8,9)6-4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyAPCOMOLRCOYWTN-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 301283
CID 301283
CID 182080
CID 182080
CID 144629
CID 144629
CID 301284
CID 301284
CID 13463632
CID 13463632
CID 15198946
CID 15198946
CID 643593
CID 643593
CID 425957
CID 425957
CID 6396515
CID 6396515
CID 11060129
CID 11060129
CID 12935787
CID 12935787
CID 15897956
CID 15897956

Frequently Asked Questions

What is the IUPAC name of dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane (CID 587729) is dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane is CCCP(=S)(S)CCC.
What is the InChIKey of dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is APCOMOLRCOYWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS2/c1-3-5-7(8,9)6-4-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane?
dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 182.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 587729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).