CAS
95458-80-3 Purity
96%
95458-80-3 Purity
96%
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4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile
CAS
95461-20-4
Catalog Number
ACM95461204
Category
Other Products
Molecular Weight
163.239460 [g/mol]
Molecular Formula
C9H9NS
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Specification
Synonyms
4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, ST081180, 95461-20-4, 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, ZINC04783736, AC1NS8LK, SCHEMBL15920403, FYOOHGLNAJIWQU-UHFFFAOYSA-N, MolPort-002-743-508, STK735160, AKOS003237257, MCULE-2639023237, AJ-52269, AK121532, W-7111, 1-Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-, A4077/0173758
IUPAC Name
4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Canonical SMILES
C1CCC2=C(C1)C(=CS2)C#N
InChI Key
FYOOHGLNAJIWQU-UHFFFAOYSA-N
Boiling Point
303ºC at 760 mmHg
Flash Point
137.1ºC
Density
1.19g/cm³
Exact Mass
163.04600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular formula is C9H9NS.
When was 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile created?
It was created on November 30, 2005.
What is the IUPAC name of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The IUPAC name is 4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
What is the InChI of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The InChI is InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h6H,1-4H2.
What is the InChIKey of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The InChIKey is FYOOHGLNAJIWQU-UHFFFAOYSA-N.
What is the canonical SMILES of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The canonical SMILES is C1CCC2=C(C1)C(=CS2)C#N.
What is the molecular weight of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular weight is 163.24 g/mol.
What is the XLogP3-AA value of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile?
The XLogP3-AA value is 2.5.
How many hydrogen bond donor counts does 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonitrile have?
It has 2 hydrogen bond acceptor counts.
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