molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)

C12H20MoO8S12 — CID 174930538

IUPACmolybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)
SMILESC=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.[Mo+4]
InChIInChI=1S/4C3H6O2S3.Mo/c4*1-2-3-5-8(4,6)7;/h4*2H,1,3H2,(H,4,6,7);/q;;;;+4/p-4
InChIKeyXKNFZACKSVMPAG-UHFFFAOYSA-J
MW773.03 g/mol
LogP1.25
Rot. Bonds12

About molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)

molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane) (PubChem CID 174930538) has the molecular formula C12H20MoO8S12 and a molecular weight of 773.03 g/mol. Its IUPAC name is molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane).

Molecular Properties

Compound Namemolybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)
PubChem CID174930538
Molecular FormulaC12H20MoO8S12
Molecular Weight773.03 g/mol
Exact Mass773.69
IUPAC Namemolybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)
SMILESC=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.[Mo+4]
InChIInChI=1S/4C3H6O2S3.Mo/c4*1-2-3-5-8(4,6)7;/h4*2H,1,3H2,(H,4,6,7);/q;;;;+4/p-4
InChIKeyXKNFZACKSVMPAG-UHFFFAOYSA-J
XLogP1.25
TPSA129.16 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.03
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

lithium prop-2-enyl sulfate
CID 87403119
aluminum tris(prop-2-enyl sulfate)
CID 173336945
CID 87404163
CID 87404163
sodium;hydride;oxo-prop-2-enoxy-prop-2-enyl-sulfanylidene-λ6-sulfane
CID 174604196
dipotassium;3-prop-2-enoxyprop-1-ene;sulfate
CID 173463307
magnesium;3-prop-2-enoxyprop-1-ene;sulfate
CID 87083397
3-silylsulfonyloxyprop-1-ene
CID 173032447
oxo-bis(prop-2-enoxy)-λ5-arsane
CID 173395449
prop-2-enyl hydrogen sulfate;tetradecane
CID 87113909
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
CID 173410015
sodium prop-2-enoxy sulfate
CID 138633937
sodium;hydride;prop-2-enyl 4-prop-2-enylbenzenesulfonate
CID 175045433

Frequently Asked Questions

What is the IUPAC name of molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)?
The IUPAC name of molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane) (CID 174930538) is molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane).
What is the SMILES notation for molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)?
The canonical SMILES for molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane) is C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.C=CCOS([O-])(=S)=S.[Mo+4].
What is the InChIKey of molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)?
The InChIKey is XKNFZACKSVMPAG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C3H6O2S3.Mo/c4*1-2-3-5-8(4,6)7;/h4*2H,1,3H2,(H,4,6,7);/q;;;;+4/p-4.
What are the key properties of molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane)?
molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane) has a molecular weight of 773.03 g/mol, XLogP of 1.25, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(4+);tetrakis(oxido-prop-2-enoxy-bis(sulfanylidene)-λ6-sulfane) is sourced from PubChem (CID 174930538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).