carbon monoxide;chromium;methylsulfanylmethylbenzene

C11H10CrO3S — CID 11000241

IUPACcarbon monoxide;chromium;methylsulfanylmethylbenzene
SMILESCSCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C8H10S.3CO.Cr/c1-9-7-8-5-3-2-4-6-8;3*1-2;/h2-6H,7H2,1H3;;;;
InChIKeyRJVARLFLWQGXMB-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.43
Rot. Bonds2

About carbon monoxide;chromium;methylsulfanylmethylbenzene

carbon monoxide;chromium;methylsulfanylmethylbenzene (PubChem CID 11000241) has the molecular formula C11H10CrO3S and a molecular weight of 274.26 g/mol. Its IUPAC name is carbon monoxide;chromium;methylsulfanylmethylbenzene.

Molecular Properties

Compound Namecarbon monoxide;chromium;methylsulfanylmethylbenzene
PubChem CID11000241
Molecular FormulaC11H10CrO3S
Molecular Weight274.26 g/mol
Exact Mass273.98
IUPAC Namecarbon monoxide;chromium;methylsulfanylmethylbenzene
SMILESCSCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C8H10S.3CO.Cr/c1-9-7-8-5-3-2-4-6-8;3*1-2;/h2-6H,7H2,1H3;;;;
InChIKeyRJVARLFLWQGXMB-UHFFFAOYSA-N
XLogP2.43
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;methylsulfanylmethylbenzene
CID 161395103
2-methylbutane;methylsulfanylmethylbenzene
CID 143884311
1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
CID 143570117
carbon monoxide;chromium;ethylbenzene
CID 11032050
1-benzyl-3-(methylsulfanylmethyl)benzene
CID 123343533
ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
CID 161313469
carbon monoxide;ethylbenzene
CID 158511344
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
ethane;hydroxysulfanylmethylbenzene
CID 143821204
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
iodomethylsulfanylmethylbenzene
CID 12664832
2-[4-(methylsulfanylmethyl)phenyl]-2-phenylpropanedinitrile
CID 142185352

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;methylsulfanylmethylbenzene?
The IUPAC name of carbon monoxide;chromium;methylsulfanylmethylbenzene (CID 11000241) is carbon monoxide;chromium;methylsulfanylmethylbenzene.
What is the SMILES notation for carbon monoxide;chromium;methylsulfanylmethylbenzene?
The canonical SMILES for carbon monoxide;chromium;methylsulfanylmethylbenzene is CSCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;methylsulfanylmethylbenzene?
The InChIKey is RJVARLFLWQGXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.3CO.Cr/c1-9-7-8-5-3-2-4-6-8;3*1-2;/h2-6H,7H2,1H3;;;;.
What are the key properties of carbon monoxide;chromium;methylsulfanylmethylbenzene?
carbon monoxide;chromium;methylsulfanylmethylbenzene has a molecular weight of 274.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;methylsulfanylmethylbenzene is sourced from PubChem (CID 11000241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).