butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride

C6H23ClO6P2S2 — CID 173340362

IUPACbutane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
SMILESCC.CCCC.Cl.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C4H10.C2H6.ClH.2H3O3PS/c1-3-4-2;1-2;;2*1-4(2,3)5/h3-4H2,1-2H3;1-2H3;1H;2*(H3,1,2,3,5)
InChIKeyNVXQSSRNRBFHJJ-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.63
Rot. Bonds1

About butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride

butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride (PubChem CID 173340362) has the molecular formula C6H23ClO6P2S2 and a molecular weight of 352.78 g/mol. Its IUPAC name is butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride.

Molecular Properties

Compound Namebutane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
PubChem CID173340362
Molecular FormulaC6H23ClO6P2S2
Molecular Weight352.78 g/mol
Exact Mass352.01
IUPAC Namebutane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
SMILESCC.CCCC.Cl.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C4H10.C2H6.ClH.2H3O3PS/c1-3-4-2;1-2;;2*1-4(2,3)5/h3-4H2,1-2H3;1-2H3;1H;2*(H3,1,2,3,5)
InChIKeyNVXQSSRNRBFHJJ-UHFFFAOYSA-N
XLogP1.63
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 51.63
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

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CID 173222318
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173415046
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173048196
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759
butane;dihydrochloride
CID 175321374
butane;dihydrochloride
CID 19855579

Frequently Asked Questions

What is the IUPAC name of butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
The IUPAC name of butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride (CID 173340362) is butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride.
What is the SMILES notation for butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
The canonical SMILES for butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride is CC.CCCC.Cl.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
The InChIKey is NVXQSSRNRBFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H6.ClH.2H3O3PS/c1-3-4-2;1-2;;2*1-4(2,3)5/h3-4H2,1-2H3;1-2H3;1H;2*(H3,1,2,3,5).
What are the key properties of butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride?
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 1.63, 1 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride is sourced from PubChem (CID 173340362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).