sodium;ethyl N-cyclohexylcarbamodithioate;hydride

C9H18NNaS2 — CID 174424467

IUPACsodium;ethyl N-cyclohexylcarbamodithioate;hydride
SMILESCCSC(=S)NC1CCCCC1.[H-].[Na+]
InChIInChI=1S/C9H17NS2.Na.H/c1-2-12-9(11)10-8-6-4-3-5-7-8;;/h8H,2-7H2,1H3,(H,10,11);;/q;+1;-1
InChIKeyVWKBOJFDLTVQPC-UHFFFAOYSA-N
MW227.37 g/mol
LogP0.06
Rot. Bonds2

About sodium;ethyl N-cyclohexylcarbamodithioate;hydride

sodium;ethyl N-cyclohexylcarbamodithioate;hydride (PubChem CID 174424467) has the molecular formula C9H18NNaS2 and a molecular weight of 227.37 g/mol. Its IUPAC name is sodium;ethyl N-cyclohexylcarbamodithioate;hydride.

Molecular Properties

Compound Namesodium;ethyl N-cyclohexylcarbamodithioate;hydride
PubChem CID174424467
Molecular FormulaC9H18NNaS2
Molecular Weight227.37 g/mol
Exact Mass227.08
IUPAC Namesodium;ethyl N-cyclohexylcarbamodithioate;hydride
SMILESCCSC(=S)NC1CCCCC1.[H-].[Na+]
InChIInChI=1S/C9H17NS2.Na.H/c1-2-12-9(11)10-8-6-4-3-5-7-8;;/h8H,2-7H2,1H3,(H,10,11);;/q;+1;-1
InChIKeyVWKBOJFDLTVQPC-UHFFFAOYSA-N
XLogP0.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclooctylcarbamothioylsulfanyl)ethylazanium
CID 7004342
hydrazinylmethyl N-cyclopentylcarbamodithioate
CID 57056282
2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride
CID 2725797
N-cyclohexylethanethioamide;ethane
CID 142134846
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea
CID 19652807
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
CID 113224002
N-cyclohexylheptanethioamide
CID 86239838
cyclooctylcarbamodithioic acid
CID 150069729

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl N-cyclohexylcarbamodithioate;hydride?
The IUPAC name of sodium;ethyl N-cyclohexylcarbamodithioate;hydride (CID 174424467) is sodium;ethyl N-cyclohexylcarbamodithioate;hydride.
What is the SMILES notation for sodium;ethyl N-cyclohexylcarbamodithioate;hydride?
The canonical SMILES for sodium;ethyl N-cyclohexylcarbamodithioate;hydride is CCSC(=S)NC1CCCCC1.[H-].[Na+].
What is the InChIKey of sodium;ethyl N-cyclohexylcarbamodithioate;hydride?
The InChIKey is VWKBOJFDLTVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2.Na.H/c1-2-12-9(11)10-8-6-4-3-5-7-8;;/h8H,2-7H2,1H3,(H,10,11);;/q;+1;-1.
What are the key properties of sodium;ethyl N-cyclohexylcarbamodithioate;hydride?
sodium;ethyl N-cyclohexylcarbamodithioate;hydride has a molecular weight of 227.37 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl N-cyclohexylcarbamodithioate;hydride is sourced from PubChem (CID 174424467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).