butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C8H24MoO7P2S2-2 — CID 175260693

IUPACbutane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESO=[Mo].OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/2C4H9.Mo.2H3O3PS.O/c2*1-3-4-2;;2*1-4(2,3)5;/h2*1,3-4H2,2H3;;2*(H3,1,2,3,5);/q2*-1;;;;
InChIKeyBFBRLWJRPRHBSY-UHFFFAOYSA-N
MW454.30 g/mol
LogP1.50
Rot. Bonds2

About butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 175260693) has the molecular formula C8H24MoO7P2S2-2 and a molecular weight of 454.30 g/mol. Its IUPAC name is butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namebutane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID175260693
Molecular FormulaC8H24MoO7P2S2-2
Molecular Weight454.30 g/mol
Exact Mass455.95
IUPAC Namebutane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESO=[Mo].OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/2C4H9.Mo.2H3O3PS.O/c2*1-3-4-2;;2*1-4(2,3)5;/h2*1,3-4H2,2H3;;2*(H3,1,2,3,5);/q2*-1;;;;
InChIKeyBFBRLWJRPRHBSY-UHFFFAOYSA-N
XLogP1.50
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.30
LogP ≤ 51.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174574861
butane;phosphoric acid;vanadium(2+)
CID 87828686
butane;platinum(2+)
CID 85439871
zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174490213
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175245259
octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
benzene;butane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174456842
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
butane;ethane;molybdenum(2+);sulfanylidenemolybdenum
CID 174542115
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128

Frequently Asked Questions

What is the IUPAC name of butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 175260693) is butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is O=[Mo].OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCC.[CH2-]CCC.
What is the InChIKey of butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is BFBRLWJRPRHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Mo.2H3O3PS.O/c2*1-3-4-2;;2*1-4(2,3)5;/h2*1,3-4H2,2H3;;2*(H3,1,2,3,5);/q2*-1;;;;.
What are the key properties of butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 454.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 175260693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).