ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate

C8H17N3OS — CID 143858168

IUPACethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate
SMILESC=CS/C(=N\C)NC(=O)NC.CC
InChIInChI=1S/C6H11N3OS.C2H6/c1-4-11-6(8-3)9-5(10)7-2;1-2/h4H,1H2,2-3H3,(H2,7,8,9,10);1-2H3
InChIKeyWYKMWBBCHXEEKU-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.80
Rot. Bonds1

About ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate

ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate (PubChem CID 143858168) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate.

Molecular Properties

Compound Nameethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate
PubChem CID143858168
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Nameethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate
SMILESC=CS/C(=N\C)NC(=O)NC.CC
InChIInChI=1S/C6H11N3OS.C2H6/c1-4-11-6(8-3)9-5(10)7-2;1-2/h4H,1H2,2-3H3,(H2,7,8,9,10);1-2H3
InChIKeyWYKMWBBCHXEEKU-UHFFFAOYSA-N
XLogP1.80
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate?
The IUPAC name of ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate (CID 143858168) is ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate.
What is the SMILES notation for ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate?
The canonical SMILES for ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate is C=CS/C(=N\C)NC(=O)NC.CC.
What is the InChIKey of ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate?
The InChIKey is WYKMWBBCHXEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS.C2H6/c1-4-11-6(8-3)9-5(10)7-2;1-2/h4H,1H2,2-3H3,(H2,7,8,9,10);1-2H3.
What are the key properties of ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate?
ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate has a molecular weight of 203.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate is sourced from PubChem (CID 143858168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).