carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine

C14H17CrNO3S — CID 85409782

IUPACcarbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccccc1C(C)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C11H17NS.3CO.Cr/c1-9(12(2)3)10-7-5-6-8-11(10)13-4;3*1-2;/h5-9H,1-4H3;;;;
InChIKeyLNHSGMJWFPOPLI-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.92
Rot. Bonds3

About carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine

carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 85409782) has the molecular formula C14H17CrNO3S and a molecular weight of 331.36 g/mol. Its IUPAC name is carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Namecarbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID85409782
Molecular FormulaC14H17CrNO3S
Molecular Weight331.36 g/mol
Exact Mass331.03
IUPAC Namecarbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccccc1C(C)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C11H17NS.3CO.Cr/c1-9(12(2)3)10-7-5-6-8-11(10)13-4;3*1-2;/h5-9H,1-4H3;;;;
InChIKeyLNHSGMJWFPOPLI-UHFFFAOYSA-N
XLogP2.92
TPSA62.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine
CID 134884111
(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
CID 134865644
copper(1+);2-[(1S)-1-(dimethylamino)ethyl]benzenethiolate
CID 101044186
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
lithium 2-[(1S)-1-(dimethylamino)ethyl]benzenethiolate
CID 139022813
3-[2-[(1S)-1-(dimethylamino)ethyl]phenyl]sulfanyl-1,1,1-trifluoropropan-2-ol
CID 10685125
3-[methyl-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013272
1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
CID 13196740
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-propan-2-ylbenzene
CID 79218072
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115796515
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine (CID 85409782) is carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine is CSc1ccccc1C(C)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is LNHSGMJWFPOPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS.3CO.Cr/c1-9(12(2)3)10-7-5-6-8-11(10)13-4;3*1-2;/h5-9H,1-4H3;;;;.
What are the key properties of carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine?
carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 331.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 85409782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).