5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole

C9H8N4S — CID 170201826

IUPAC5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
SMILESc1ccc2c(C3=NNNN3)csc2c1
InChIInChI=1S/C9H8N4S/c1-2-4-8-6(3-1)7(5-14-8)9-10-12-13-11-9/h1-5,12-13H,(H,10,11)
InChIKeyVBZRGPZZXXNHJO-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.18
Rot. Bonds1

About 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole

5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole (PubChem CID 170201826) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
PubChem CID170201826
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
SMILESc1ccc2c(C3=NNNN3)csc2c1
InChIInChI=1S/C9H8N4S/c1-2-4-8-6(3-1)7(5-14-8)9-10-12-13-11-9/h1-5,12-13H,(H,10,11)
InChIKeyVBZRGPZZXXNHJO-UHFFFAOYSA-N
XLogP1.18
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68946010
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3-(2-bromophenyl)-1-benzothiophene
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4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
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2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine
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CID 80550933
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline
CID 45276789
N,N,4-tris[4-(1-benzothiophen-3-yl)phenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole?
The IUPAC name of 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole (CID 170201826) is 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole is c1ccc2c(C3=NNNN3)csc2c1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole?
The InChIKey is VBZRGPZZXXNHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-2-4-8-6(3-1)7(5-14-8)9-10-12-13-11-9/h1-5,12-13H,(H,10,11).
What are the key properties of 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole?
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole has a molecular weight of 204.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole is sourced from PubChem (CID 170201826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).