di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane

C13H30P2S2 — CID 23418689

IUPACdi(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane
SMILESCC(C)P(=S)(CP(=S)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H30P2S2/c1-10(2)14(16,11(3)4)9-15(17,12(5)6)13(7)8/h10-13H,9H2,1-8H3
InChIKeyBQMLWEFMPLKKMK-UHFFFAOYSA-N
MW312.47 g/mol
LogP5.54
Rot. Bonds6

About di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane

di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane (PubChem CID 23418689) has the molecular formula C13H30P2S2 and a molecular weight of 312.47 g/mol. Its IUPAC name is di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedi(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane
PubChem CID23418689
Molecular FormulaC13H30P2S2
Molecular Weight312.47 g/mol
Exact Mass312.13
IUPAC Namedi(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane
SMILESCC(C)P(=S)(CP(=S)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H30P2S2/c1-10(2)14(16,11(3)4)9-15(17,12(5)6)13(7)8/h10-13H,9H2,1-8H3
InChIKeyBQMLWEFMPLKKMK-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.47
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 5483603
CID 5483603
CID 171375193
CID 171375193
diethoxy-propan-2-yl-selanylidene-lambda5-phosphane
CID 15503690
2-di(propan-2-yl)phosphinoselenoylethyl-di(propan-2-yl)-selanylidene-λ5-phosphane
CID 139172260
2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane
CID 100984496
(2S)-N-dihydroxyphosphinothioylbutan-2-amine
CID 88688812
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87595607
di(propan-2-yl)phosphanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23418853
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 12504431
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane?
The IUPAC name of di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane (CID 23418689) is di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane is CC(C)P(=S)(CP(=S)(C(C)C)C(C)C)C(C)C.
What is the InChIKey of di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane?
The InChIKey is BQMLWEFMPLKKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P2S2/c1-10(2)14(16,11(3)4)9-15(17,12(5)6)13(7)8/h10-13H,9H2,1-8H3.
What are the key properties of di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane?
di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane has a molecular weight of 312.47 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23418689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).