ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine

C10H21NS — CID 144524029

IUPACethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine
SMILESC=CS/N=C(/C)C=C.CC.CC
InChIInChI=1S/C6H9NS.2C2H6/c1-4-6(3)7-8-5-2;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3/b7-6-;;
InChIKeyVRXOXQHQLVPMOB-AQTVDGORSA-N
MW187.35 g/mol
LogP4.48
Rot. Bonds3

About ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine

ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine (PubChem CID 144524029) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine
PubChem CID144524029
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine
SMILESC=CS/N=C(/C)C=C.CC.CC
InChIInChI=1S/C6H9NS.2C2H6/c1-4-6(3)7-8-5-2;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3/b7-6-;;
InChIKeyVRXOXQHQLVPMOB-AQTVDGORSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine (CID 144524029) is ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine is C=CS/N=C(/C)C=C.CC.CC.
What is the InChIKey of ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine?
The InChIKey is VRXOXQHQLVPMOB-AQTVDGORSA-N. The full InChI is InChI=1S/C6H9NS.2C2H6/c1-4-6(3)7-8-5-2;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3/b7-6-;;.
What are the key properties of ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine?
ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine has a molecular weight of 187.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethenylsulfanylbut-3-en-2-imine is sourced from PubChem (CID 144524029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).