ethyl-methylidene-bis(sulfanyl)-λ5-phosphane

C3H9PS2 — CID 122660211

IUPACethyl-methylidene-bis(sulfanyl)-λ5-phosphane
SMILESC=P(S)(S)CC
InChIInChI=1S/C3H9PS2/c1-3-4(2,5)6/h5-6H,2-3H2,1H3
InChIKeyBVEUWJBPGLLKIR-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.15
Rot. Bonds1

About ethyl-methylidene-bis(sulfanyl)-λ5-phosphane

ethyl-methylidene-bis(sulfanyl)-λ5-phosphane (PubChem CID 122660211) has the molecular formula C3H9PS2 and a molecular weight of 140.21 g/mol. Its IUPAC name is ethyl-methylidene-bis(sulfanyl)-λ5-phosphane.

Molecular Properties

Compound Nameethyl-methylidene-bis(sulfanyl)-λ5-phosphane
PubChem CID122660211
Molecular FormulaC3H9PS2
Molecular Weight140.21 g/mol
Exact Mass139.99
IUPAC Nameethyl-methylidene-bis(sulfanyl)-λ5-phosphane
SMILESC=P(S)(S)CC
InChIInChI=1S/C3H9PS2/c1-3-4(2,5)6/h5-6H,2-3H2,1H3
InChIKeyBVEUWJBPGLLKIR-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl-imino-dimethyl-λ5-phosphane
CID 91525815
bis(ethyl-dimethoxy-methylidene-λ5-phosphane);methane
CID 159713046
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 12608714
ethyl-hydroxy-methoxy-methylidene-λ5-phosphane;rutherfordium
CID 59408694
ethane;ethene;methanethiol;propane
CID 157063512
dimethyl-sulfanyl-sulfanylidene-λ5-phosphane;methane
CID 159988890
diethoxy-methyl-methylidene-λ5-phosphane
CID 23377083
diethylphosphinothioyl-dimethyl-sulfanylidene-λ5-phosphane
CID 132548484
dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane
CID 160500544
ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 154376703
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21116234
(1,2-13C2)ethanethiol
CID 169439901

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-bis(sulfanyl)-λ5-phosphane?
The IUPAC name of ethyl-methylidene-bis(sulfanyl)-λ5-phosphane (CID 122660211) is ethyl-methylidene-bis(sulfanyl)-λ5-phosphane.
What is the SMILES notation for ethyl-methylidene-bis(sulfanyl)-λ5-phosphane?
The canonical SMILES for ethyl-methylidene-bis(sulfanyl)-λ5-phosphane is C=P(S)(S)CC.
What is the InChIKey of ethyl-methylidene-bis(sulfanyl)-λ5-phosphane?
The InChIKey is BVEUWJBPGLLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9PS2/c1-3-4(2,5)6/h5-6H,2-3H2,1H3.
What are the key properties of ethyl-methylidene-bis(sulfanyl)-λ5-phosphane?
ethyl-methylidene-bis(sulfanyl)-λ5-phosphane has a molecular weight of 140.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-bis(sulfanyl)-λ5-phosphane is sourced from PubChem (CID 122660211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).