(3Z)-3-butylidene-N-methylthiophen-2-imine

C9H13NS — CID 144960236

IUPAC(3Z)-3-butylidene-N-methylthiophen-2-imine
SMILESCCC/C=C1/C=CS/C1=N\C
InChIInChI=1S/C9H13NS/c1-3-4-5-8-6-7-11-9(8)10-2/h5-7H,3-4H2,1-2H3/b8-5-,10-9-
InChIKeyXYYXLVNEYHYCDR-IVXNCWGASA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds2

About (3Z)-3-butylidene-N-methylthiophen-2-imine

(3Z)-3-butylidene-N-methylthiophen-2-imine (PubChem CID 144960236) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (3Z)-3-butylidene-N-methylthiophen-2-imine.

Molecular Properties

Compound Name(3Z)-3-butylidene-N-methylthiophen-2-imine
PubChem CID144960236
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(3Z)-3-butylidene-N-methylthiophen-2-imine
SMILESCCC/C=C1/C=CS/C1=N\C
InChIInChI=1S/C9H13NS/c1-3-4-5-8-6-7-11-9(8)10-2/h5-7H,3-4H2,1-2H3/b8-5-,10-9-
InChIKeyXYYXLVNEYHYCDR-IVXNCWGASA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
3-ethylidene-N-methylthiophen-2-imine
CID 123936114
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
CID 143712501
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
[(1E,3Z)-6-methyl-5-methylidenehepta-1,3,6-trienyl] N-methylethanimidothioate
CID 143975900

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butylidene-N-methylthiophen-2-imine?
The IUPAC name of (3Z)-3-butylidene-N-methylthiophen-2-imine (CID 144960236) is (3Z)-3-butylidene-N-methylthiophen-2-imine.
What is the SMILES notation for (3Z)-3-butylidene-N-methylthiophen-2-imine?
The canonical SMILES for (3Z)-3-butylidene-N-methylthiophen-2-imine is CCC/C=C1/C=CS/C1=N\C.
What is the InChIKey of (3Z)-3-butylidene-N-methylthiophen-2-imine?
The InChIKey is XYYXLVNEYHYCDR-IVXNCWGASA-N. The full InChI is InChI=1S/C9H13NS/c1-3-4-5-8-6-7-11-9(8)10-2/h5-7H,3-4H2,1-2H3/b8-5-,10-9-.
What are the key properties of (3Z)-3-butylidene-N-methylthiophen-2-imine?
(3Z)-3-butylidene-N-methylthiophen-2-imine has a molecular weight of 167.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butylidene-N-methylthiophen-2-imine is sourced from PubChem (CID 144960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).