butane;ethane;molybdenum(2+);sulfanylidenemolybdenum

C6H14Mo2S — CID 174542115

IUPACbutane;ethane;molybdenum(2+);sulfanylidenemolybdenum
SMILESS=[Mo].[CH2-]C.[CH2-]CCC.[Mo+2]
InChIInChI=1S/C4H9.C2H5.2Mo.S/c1-3-4-2;1-2;;;/h1,3-4H2,2H3;1H2,2H3;;;/q2*-1;;+2;
InChIKeyDGLTVGPRWWRBGM-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.10
Rot. Bonds1

About butane;ethane;molybdenum(2+);sulfanylidenemolybdenum

butane;ethane;molybdenum(2+);sulfanylidenemolybdenum (PubChem CID 174542115) has the molecular formula C6H14Mo2S and a molecular weight of 310.13 g/mol. Its IUPAC name is butane;ethane;molybdenum(2+);sulfanylidenemolybdenum.

Molecular Properties

Compound Namebutane;ethane;molybdenum(2+);sulfanylidenemolybdenum
PubChem CID174542115
Molecular FormulaC6H14Mo2S
Molecular Weight310.13 g/mol
Exact Mass313.89
IUPAC Namebutane;ethane;molybdenum(2+);sulfanylidenemolybdenum
SMILESS=[Mo].[CH2-]C.[CH2-]CCC.[Mo+2]
InChIInChI=1S/C4H9.C2H5.2Mo.S/c1-3-4-2;1-2;;;/h1,3-4H2,2H3;1H2,2H3;;;/q2*-1;;+2;
InChIKeyDGLTVGPRWWRBGM-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;molybdenum(2+);sulfanylidenemolybdenum?
The IUPAC name of butane;ethane;molybdenum(2+);sulfanylidenemolybdenum (CID 174542115) is butane;ethane;molybdenum(2+);sulfanylidenemolybdenum.
What is the SMILES notation for butane;ethane;molybdenum(2+);sulfanylidenemolybdenum?
The canonical SMILES for butane;ethane;molybdenum(2+);sulfanylidenemolybdenum is S=[Mo].[CH2-]C.[CH2-]CCC.[Mo+2].
What is the InChIKey of butane;ethane;molybdenum(2+);sulfanylidenemolybdenum?
The InChIKey is DGLTVGPRWWRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C2H5.2Mo.S/c1-3-4-2;1-2;;;/h1,3-4H2,2H3;1H2,2H3;;;/q2*-1;;+2;.
What are the key properties of butane;ethane;molybdenum(2+);sulfanylidenemolybdenum?
butane;ethane;molybdenum(2+);sulfanylidenemolybdenum has a molecular weight of 310.13 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;molybdenum(2+);sulfanylidenemolybdenum is sourced from PubChem (CID 174542115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).