ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C9H34O6P2S2 — CID 175324813

IUPACethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC.CC.CC.CC.CC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/4C2H6.CH4.2H3O3PS/c4*1-2;;2*1-4(2,3)5/h4*1-2H3;1H4;2*(H3,1,2,3,5)
InChIKeyYVIPKSRLTUVEKV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds

About ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 175324813) has the molecular formula C9H34O6P2S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Nameethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID175324813
Molecular FormulaC9H34O6P2S2
Molecular Weight364.45 g/mol
Exact Mass364.13
IUPAC Nameethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC.CC.CC.CC.CC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/4C2H6.CH4.2H3O3PS/c4*1-2;;2*1-4(2,3)5/h4*1-2H3;1H4;2*(H3,1,2,3,5)
InChIKeyYVIPKSRLTUVEKV-UHFFFAOYSA-N
XLogP3.12
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173048196
CID 173075577
CID 173075577
CID 173186715
CID 173186715
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
magnesium;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174644502
azanide;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174724597
sodium;hydride;pentakis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175387653
bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc;dihydrate
CID 175281748
molybdenum;rhenium;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174835711

Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 175324813) is ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is C.CC.CC.CC.CC.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is YVIPKSRLTUVEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H6.CH4.2H3O3PS/c4*1-2;;2*1-4(2,3)5/h4*1-2H3;1H4;2*(H3,1,2,3,5).
What are the key properties of ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 364.45 g/mol, XLogP of 3.12, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 175324813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).