ethane;ethenyl N-methylethanimidothioate

C9H21NS — CID 142853916

IUPACethane;ethenyl N-methylethanimidothioate
SMILESC=CS/C(C)=N/C.CC.CC
InChIInChI=1S/C5H9NS.2C2H6/c1-4-7-5(2)6-3;2*1-2/h4H,1H2,2-3H3;2*1-2H3/b6-5+;;
InChIKeyXTQXKTSHAIDPAU-TXOOBNKBSA-N
MW175.34 g/mol
LogP3.96
Rot. Bonds1

About ethane;ethenyl N-methylethanimidothioate

ethane;ethenyl N-methylethanimidothioate (PubChem CID 142853916) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is ethane;ethenyl N-methylethanimidothioate.

Molecular Properties

Compound Nameethane;ethenyl N-methylethanimidothioate
PubChem CID142853916
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Nameethane;ethenyl N-methylethanimidothioate
SMILESC=CS/C(C)=N/C.CC.CC
InChIInChI=1S/C5H9NS.2C2H6/c1-4-7-5(2)6-3;2*1-2/h4H,1H2,2-3H3;2*1-2H3/b6-5+;;
InChIKeyXTQXKTSHAIDPAU-TXOOBNKBSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylethanimidothioate?
The IUPAC name of ethane;ethenyl N-methylethanimidothioate (CID 142853916) is ethane;ethenyl N-methylethanimidothioate.
What is the SMILES notation for ethane;ethenyl N-methylethanimidothioate?
The canonical SMILES for ethane;ethenyl N-methylethanimidothioate is C=CS/C(C)=N/C.CC.CC.
What is the InChIKey of ethane;ethenyl N-methylethanimidothioate?
The InChIKey is XTQXKTSHAIDPAU-TXOOBNKBSA-N. The full InChI is InChI=1S/C5H9NS.2C2H6/c1-4-7-5(2)6-3;2*1-2/h4H,1H2,2-3H3;2*1-2H3/b6-5+;;.
What are the key properties of ethane;ethenyl N-methylethanimidothioate?
ethane;ethenyl N-methylethanimidothioate has a molecular weight of 175.34 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl N-methylethanimidothioate is sourced from PubChem (CID 142853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).