2H-1-benzothiophen-6-imine

C8H7NS — CID 134890155

IUPAC2H-1-benzothiophen-6-imine
SMILES[H]/N=C1\C=CC2=CCSC2=C1
InChIInChI=1S/C8H7NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5,9H,4H2/b9-7+
InChIKeyCESZWWORZDTRLJ-VQHVLOKHSA-N
MW149.22 g/mol
LogP2.13
Rot. Bonds

About 2H-1-benzothiophen-6-imine

2H-1-benzothiophen-6-imine (PubChem CID 134890155) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 2H-1-benzothiophen-6-imine.

Molecular Properties

Compound Name2H-1-benzothiophen-6-imine
PubChem CID134890155
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name2H-1-benzothiophen-6-imine
SMILES[H]/N=C1\C=CC2=CCSC2=C1
InChIInChI=1S/C8H7NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5,9H,4H2/b9-7+
InChIKeyCESZWWORZDTRLJ-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-4-imine
CID 135051574
(4-Thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 20502085
(2E)-2-[(Z)-4-methylpent-2-enylidene]thiophen-3-imine
CID 88270554
(3E)-3-ethylsulfanylhexa-3,5-dien-2-imine
CID 91374063
(2E)-2-(2-methylidenebutylidene)thiophen-3-imine
CID 155130400
(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine
CID 163640872
4-Methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)sulfanylpent-3-en-2-imine
CID 169646017
4-Thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine
CID 20502086
[4-(2-Methylsulfanylethylidene)cyclohexa-2,5-dien-1-ylidene]azanium
CID 102220622
4-(2-Methylsulfanylethylidene)cyclohexa-2,5-dien-1-imine
CID 102220623
6-Methylidene-3-(methylsulfanylmethyl)cyclohexa-2,4-dien-1-imine
CID 178170442

Frequently Asked Questions

What is the IUPAC name of 2H-1-benzothiophen-6-imine?
The IUPAC name of 2H-1-benzothiophen-6-imine (CID 134890155) is 2H-1-benzothiophen-6-imine.
What is the SMILES notation for 2H-1-benzothiophen-6-imine?
The canonical SMILES for 2H-1-benzothiophen-6-imine is [H]/N=C1\C=CC2=CCSC2=C1.
What is the InChIKey of 2H-1-benzothiophen-6-imine?
The InChIKey is CESZWWORZDTRLJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H7NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5,9H,4H2/b9-7+.
What are the key properties of 2H-1-benzothiophen-6-imine?
2H-1-benzothiophen-6-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-6-imine is sourced from PubChem (CID 134890155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).