ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole

C11H17NS — CID 143157875

IUPACethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
SMILESC=CS/C(=C\C)C1=CC=NC1.CC
InChIInChI=1S/C9H11NS.C2H6/c1-3-9(11-4-2)8-5-6-10-7-8;1-2/h3-6H,2,7H2,1H3;1-2H3/b9-3-;
InChIKeyKICJKZPNYQBTIJ-WPUSIDMCSA-N
MW195.33 g/mol
LogP3.80
Rot. Bonds3

About ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole

ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole (PubChem CID 143157875) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole.

Molecular Properties

Compound Nameethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
PubChem CID143157875
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
SMILESC=CS/C(=C\C)C1=CC=NC1.CC
InChIInChI=1S/C9H11NS.C2H6/c1-3-9(11-4-2)8-5-6-10-7-8;1-2/h3-6H,2,7H2,1H3;1-2H3/b9-3-;
InChIKeyKICJKZPNYQBTIJ-WPUSIDMCSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[5-[ethyl(dimethyl)-lambda4-sulfanyl]hexa-2,5-dienyl]ethanimine
CID 123147571
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
methyl N-[(2Z,4Z)-3-methylhepta-2,4-dienyl]ethanimidothioate
CID 130183519
3,4-dihydro-2H-thieno[3,2-c]azepine
CID 137397439
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
(3aZ,7Z,9E)-thieno[3,2-c]azocine
CID 139776980
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157915
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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
The IUPAC name of ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole (CID 143157875) is ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole.
What is the SMILES notation for ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
The canonical SMILES for ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole is C=CS/C(=C\C)C1=CC=NC1.CC.
What is the InChIKey of ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
The InChIKey is KICJKZPNYQBTIJ-WPUSIDMCSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-3-9(11-4-2)8-5-6-10-7-8;1-2/h3-6H,2,7H2,1H3;1-2H3/b9-3-;.
What are the key properties of ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole has a molecular weight of 195.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole is sourced from PubChem (CID 143157875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).