2H-1-benzothiophen-4-imine

C8H7NS — CID 135051574

IUPAC2H-1-benzothiophen-4-imine
SMILES[H]/N=C1\C=CC=C2SCC=C21
InChIInChI=1S/C8H7NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-4,9H,5H2/b9-7+
InChIKeyDGKSCRVZLXJMFS-VQHVLOKHSA-N
MW149.22 g/mol
LogP2.13
Rot. Bonds

About 2H-1-benzothiophen-4-imine

2H-1-benzothiophen-4-imine (PubChem CID 135051574) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 2H-1-benzothiophen-4-imine.

Molecular Properties

Compound Name2H-1-benzothiophen-4-imine
PubChem CID135051574
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name2H-1-benzothiophen-4-imine
SMILES[H]/N=C1\C=CC=C2SCC=C21
InChIInChI=1S/C8H7NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-4,9H,5H2/b9-7+
InChIKeyDGKSCRVZLXJMFS-VQHVLOKHSA-N
XLogP2.13
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.13
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

2H-1-benzothiophen-6-imine
CID 134890155
3-methyl-9H-thieno[2,3-i][1,2]benzodiazepine
CID 88050445
(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
CID 89282869
4-Prop-2-enylsulfanylcyclohexa-3,5-diene-1,2-diimine
CID 129215758
(2E)-2-(2-methylidenebutylidene)thiophen-3-imine
CID 155130400
(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine
CID 163640872
(6-Imino-3-prop-2-enylsulfanylcyclohexa-2,4-dien-1-ylidene)azanium
CID 164080585
4-Methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)sulfanylpent-3-en-2-imine
CID 169646017
3-Methyl-2-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 173301238
(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine
CID 177018451
Ethane;6-methylidene-3-(methylsulfanylmethyl)cyclohexa-2,4-dien-1-imine
CID 178170441
4-Butylsulfanylcyclohexa-3,5-diene-1,2-diimine
CID 145566062

Frequently Asked Questions

What is the IUPAC name of 2H-1-benzothiophen-4-imine?
The IUPAC name of 2H-1-benzothiophen-4-imine (CID 135051574) is 2H-1-benzothiophen-4-imine.
What is the SMILES notation for 2H-1-benzothiophen-4-imine?
The canonical SMILES for 2H-1-benzothiophen-4-imine is [H]/N=C1\C=CC=C2SCC=C21.
What is the InChIKey of 2H-1-benzothiophen-4-imine?
The InChIKey is DGKSCRVZLXJMFS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H7NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-4,9H,5H2/b9-7+.
What are the key properties of 2H-1-benzothiophen-4-imine?
2H-1-benzothiophen-4-imine has a molecular weight of 149.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1-benzothiophen-4-imine is sourced from PubChem (CID 135051574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).