carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten

C15H27N3O2S4W-2 — CID 10974000

IUPACcarbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten
SMILESCC(C)N(C=[W])C(C)C.CN(C)C(=S)[S-].CN(C)C(=S)[S-].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C7H15N.2C3H7NS2.2CO.W/c1-6(2)8(5)7(3)4;2*1-4(2)3(5)6;2*1-2;/h5-7H,1-4H3;2*1-2H3,(H,5,6);;;/p-2
InChIKeyYTNPJJULRXDKQA-UHFFFAOYSA-L
MW593.51 g/mol
LogP2.10
Rot. Bonds3

About carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten

carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten (PubChem CID 10974000) has the molecular formula C15H27N3O2S4W-2 and a molecular weight of 593.51 g/mol. Its IUPAC name is carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten.

Molecular Properties

Compound Namecarbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten
PubChem CID10974000
Molecular FormulaC15H27N3O2S4W-2
Molecular Weight593.51 g/mol
Exact Mass593.05
IUPAC Namecarbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten
SMILESCC(C)N(C=[W])C(C)C.CN(C)C(=S)[S-].CN(C)C(=S)[S-].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C7H15N.2C3H7NS2.2CO.W/c1-6(2)8(5)7(3)4;2*1-4(2)3(5)6;2*1-2;/h5-7H,1-4H3;2*1-2H3,(H,5,6);;;/p-2
InChIKeyYTNPJJULRXDKQA-UHFFFAOYSA-L
XLogP2.10
TPSA49.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
potassium N,N-dimethylcarbamodithioate
CID 23662387
zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
CID 22294344
potassium N,N-di(propan-2-yl)carbamodithioate
CID 23667683
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
copper bis(N-ethyl-N-methylcarbamodithioate)
CID 18793600
2-methylpropanedithioate
CID 19087069
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
cadmium(2+);bis(N-dodecyl-N-propan-2-ylcarbamodithioate)
CID 160525594
dimethylamino(sulfanylidene)methanesulfinate;bis(N,N-dimethylcarbamodithioate);iron(3+)
CID 134094508
zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
CID 149053660

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten?
The IUPAC name of carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten (CID 10974000) is carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten.
What is the SMILES notation for carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten?
The canonical SMILES for carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten is CC(C)N(C=[W])C(C)C.CN(C)C(=S)[S-].CN(C)C(=S)[S-].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten?
The InChIKey is YTNPJJULRXDKQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H15N.2C3H7NS2.2CO.W/c1-6(2)8(5)7(3)4;2*1-4(2)3(5)6;2*1-2;/h5-7H,1-4H3;2*1-2H3,(H,5,6);;;/p-2.
What are the key properties of carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten?
carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten has a molecular weight of 593.51 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten is sourced from PubChem (CID 10974000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).