ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine

C10H19NS — CID 142189695

IUPACethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine
SMILESC/C=C(\C=C/C=N/C)SC.CC
InChIInChI=1S/C8H13NS.C2H6/c1-4-8(10-3)6-5-7-9-2;1-2/h4-7H,1-3H3;1-2H3/b6-5-,8-4+,9-7+;
InChIKeyUWPPGCVEFJXCBX-GMERRPRKSA-N
MW185.34 g/mol
LogP3.54
Rot. Bonds3

About ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine

ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine (PubChem CID 142189695) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine
PubChem CID142189695
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine
SMILESC/C=C(\C=C/C=N/C)SC.CC
InChIInChI=1S/C8H13NS.C2H6/c1-4-8(10-3)6-5-7-9-2;1-2/h4-7H,1-3H3;1-2H3/b6-5-,8-4+,9-7+;
InChIKeyUWPPGCVEFJXCBX-GMERRPRKSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-methyl-3-methylsulfanylhexa-2,4-dien-1-imine
CID 90143961
methyl N-[(2Z)-penta-2,4-dienyl]ethanimidothioate
CID 90248677
(2Z,4Z)-N-(thietan-3-yl)hexa-2,4-dien-1-imine
CID 90264799
(E)-3-butylsulfanyl-N-methylprop-2-en-1-imine
CID 124148558
(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine
CID 126542848
N-[(2E,4Z)-2-methylsulfanylhexa-2,4-dienyl]methanimine
CID 132263538
[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
CID 139443844
(Z)-N-[1-[(3Z)-penta-1,3-dien-2-yl]sulfanylethenyl]ethanimine
CID 141895166
(E)-N-ethyl-3-ethylsulfanylbut-2-en-1-imine
CID 141973570
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 142185311
5-ethylsulfanyl-2H-azepine
CID 143130070
(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine
CID 143528038

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine?
The IUPAC name of ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine (CID 142189695) is ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine?
The canonical SMILES for ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine is C/C=C(\C=C/C=N/C)SC.CC.
What is the InChIKey of ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine?
The InChIKey is UWPPGCVEFJXCBX-GMERRPRKSA-N. The full InChI is InChI=1S/C8H13NS.C2H6/c1-4-8(10-3)6-5-7-9-2;1-2/h4-7H,1-3H3;1-2H3/b6-5-,8-4+,9-7+;.
What are the key properties of ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine?
ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine has a molecular weight of 185.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine is sourced from PubChem (CID 142189695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).