methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane

C4H11PS3 — CID 21116234

IUPACmethyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(C)(=S)S
InChIInChI=1S/C4H11PS3/c1-3-4-8-5(2,6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyMBMSGIXPYJYKFA-UHFFFAOYSA-N
MW186.31 g/mol
LogP3.00
Rot. Bonds3

About methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane

methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 21116234) has the molecular formula C4H11PS3 and a molecular weight of 186.31 g/mol. Its IUPAC name is methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID21116234
Molecular FormulaC4H11PS3
Molecular Weight186.31 g/mol
Exact Mass185.98
IUPAC Namemethyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(C)(=S)S
InChIInChI=1S/C4H11PS3/c1-3-4-8-5(2,6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyMBMSGIXPYJYKFA-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
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

bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 88623830
tris(propylsulfanyl)-selanylidene-λ5-phosphane
CID 23412993
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
CID 22226137
1-[methyl(propylsulfanyl)phosphinothioyl]sulfanylethyl acetate
CID 23621539
N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 88791482
dimethyl-sulfanyl-sulfanylidene-λ5-phosphane;methane
CID 159988890
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
CID 22497472
N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 173445206
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
CID 88792107

Frequently Asked Questions

What is the IUPAC name of methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane (CID 21116234) is methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane is CCCSP(C)(=S)S.
What is the InChIKey of methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is MBMSGIXPYJYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS3/c1-3-4-8-5(2,6)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane?
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 186.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21116234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).