ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate

C12H21NS — CID 143891713

IUPACethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
SMILESC=C/N=C(/C=C/CCC)SC=C.CC
InChIInChI=1S/C10H15NS.C2H6/c1-4-7-8-9-10(11-5-2)12-6-3;1-2/h5-6,8-9H,2-4,7H2,1H3;1-2H3/b9-8+,11-10-;
InChIKeyASCQYZZLRCNZFG-AZYXJCANSA-N
MW211.37 g/mol
LogP4.79
Rot. Bonds5

About ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate

ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate (PubChem CID 143891713) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate.

Molecular Properties

Compound Nameethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
PubChem CID143891713
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Nameethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
SMILESC=C/N=C(/C=C/CCC)SC=C.CC
InChIInChI=1S/C10H15NS.C2H6/c1-4-7-8-9-10(11-5-2)12-6-3;1-2/h5-6,8-9H,2-4,7H2,1H3;1-2H3/b9-8+,11-10-;
InChIKeyASCQYZZLRCNZFG-AZYXJCANSA-N
XLogP4.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.79
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'}

Analyze ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(Z)-pent-2-enyl]ethanimidothioate
CID 121330080
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
(2E)-2-butylidene-3-methyl-1,4-thiazine
CID 123512371
pent-4-enyl N-[(1Z)-buta-1,3-dienyl]ethanimidothioate
CID 130382663
(3E,10E)-11-(propan-2-ylideneamino)undeca-3,7,10-triene-2-thiol
CID 134526773
ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
4,4-Dimethyl-7-methylsulfanylazepine
CID 143885496
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891117
ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
CID 143891680
ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
CID 143892380
4-methyl-7-methylsulfanyl-4H-azepine
CID 144617439
(Z)-N-ethenyl-1-(ethyl-methyl-methylsulfanyl-lambda4-sulfanyl)pent-3-en-1-imine
CID 146420053

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate?
The IUPAC name of ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate (CID 143891713) is ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate.
What is the SMILES notation for ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate?
The canonical SMILES for ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate is C=C/N=C(/C=C/CCC)SC=C.CC.
What is the InChIKey of ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate?
The InChIKey is ASCQYZZLRCNZFG-AZYXJCANSA-N. The full InChI is InChI=1S/C10H15NS.C2H6/c1-4-7-8-9-10(11-5-2)12-6-3;1-2/h5-6,8-9H,2-4,7H2,1H3;1-2H3/b9-8+,11-10-;.
What are the key properties of ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate?
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate has a molecular weight of 211.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate is sourced from PubChem (CID 143891713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).