bis(sulfanylidene)molybdenum;propan-2-one

C3H6MoOS2 — CID 174887622

IUPACbis(sulfanylidene)molybdenum;propan-2-one
SMILESCC(C)=O.S=[Mo]=S
InChIInChI=1S/C3H6O.Mo.2S/c1-3(2)4;;;/h1-2H3;;;
InChIKeyGWQPINKWUKXSRM-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.89
Rot. Bonds

About bis(sulfanylidene)molybdenum;propan-2-one

bis(sulfanylidene)molybdenum;propan-2-one (PubChem CID 174887622) has the molecular formula C3H6MoOS2 and a molecular weight of 218.15 g/mol. Its IUPAC name is bis(sulfanylidene)molybdenum;propan-2-one.

Molecular Properties

Compound Namebis(sulfanylidene)molybdenum;propan-2-one
PubChem CID174887622
Molecular FormulaC3H6MoOS2
Molecular Weight218.15 g/mol
Exact Mass219.89
IUPAC Namebis(sulfanylidene)molybdenum;propan-2-one
SMILESCC(C)=O.S=[Mo]=S
InChIInChI=1S/C3H6O.Mo.2S/c1-3(2)4;;;/h1-2H3;;;
InChIKeyGWQPINKWUKXSRM-UHFFFAOYSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(sulfanylidene)molybdenum;propan-2-one?
The IUPAC name of bis(sulfanylidene)molybdenum;propan-2-one (CID 174887622) is bis(sulfanylidene)molybdenum;propan-2-one.
What is the SMILES notation for bis(sulfanylidene)molybdenum;propan-2-one?
The canonical SMILES for bis(sulfanylidene)molybdenum;propan-2-one is CC(C)=O.S=[Mo]=S.
What is the InChIKey of bis(sulfanylidene)molybdenum;propan-2-one?
The InChIKey is GWQPINKWUKXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Mo.2S/c1-3(2)4;;;/h1-2H3;;;.
What are the key properties of bis(sulfanylidene)molybdenum;propan-2-one?
bis(sulfanylidene)molybdenum;propan-2-one has a molecular weight of 218.15 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanylidene)molybdenum;propan-2-one is sourced from PubChem (CID 174887622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).