(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine

C9H11NS — CID 163640872

IUPAC(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine
SMILES[H]/N=C1\C=CS\C1=C\C(C)=C/C
InChIInChI=1S/C9H11NS/c1-3-7(2)6-9-8(10)4-5-11-9/h3-6,10H,1-2H3/b7-3-,9-6+,10-8+
InChIKeyIEDNBIRUUJGMQL-ZRDLYCAXSA-N
MW165.26 g/mol
LogP3.12
Rot. Bonds1

About (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine

(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine (PubChem CID 163640872) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine
PubChem CID163640872
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine
SMILES[H]/N=C1\C=CS\C1=C\C(C)=C/C
InChIInChI=1S/C9H11NS/c1-3-7(2)6-9-8(10)4-5-11-9/h3-6,10H,1-2H3/b7-3-,9-6+,10-8+
InChIKeyIEDNBIRUUJGMQL-ZRDLYCAXSA-N
XLogP3.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Methylsulfanylcyclohepta-2,4,6-trien-1-ylidene)azanium iodide
CID 85565680
2H-1-benzothiophen-6-imine
CID 134890155
2H-1-benzothiophen-4-imine
CID 135051574
(4-Thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 20502085
(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
CID 87310153
(2E)-2-[(Z)-4-methylpent-2-enylidene]thiophen-3-imine
CID 88270554
(3Z,6E,8Z,10Z)-3-methylsulfanyldodeca-3,6,8,10-tetraen-5-imine
CID 88578737
(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
CID 89282869
(3E)-3-ethylsulfanylhexa-3,5-dien-2-imine
CID 91374063
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(3Z,5E,8Z)-3-ethylidene-2-methyl-10-methylsulfanyldeca-1,5,8-trien-4-imine
CID 140662399
(Z)-6-imino-3-methylidenehept-4-ene-1-thiol
CID 141946925

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine?
The IUPAC name of (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine (CID 163640872) is (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine.
What is the SMILES notation for (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine?
The canonical SMILES for (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine is [H]/N=C1\C=CS\C1=C\C(C)=C/C.
What is the InChIKey of (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine?
The InChIKey is IEDNBIRUUJGMQL-ZRDLYCAXSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-7(2)6-9-8(10)4-5-11-9/h3-6,10H,1-2H3/b7-3-,9-6+,10-8+.
What are the key properties of (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine?
(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine has a molecular weight of 165.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine is sourced from PubChem (CID 163640872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).