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

C9H6N4S — CID 19930955

IUPAC5-(1-benzothiophen-3-yl)-2H-tetrazole
SMILESc1ccc2c(-c3nn[nH]n3)csc2c1
InChIInChI=1S/C9H6N4S/c1-2-4-8-6(3-1)7(5-14-8)9-10-12-13-11-9/h1-5H,(H,10,11,12,13)
InChIKeyIMIKRVRSGVCYSH-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.08
Rot. Bonds1

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

5-(1-benzothiophen-3-yl)-2H-tetrazole (PubChem CID 19930955) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-2H-tetrazole
PubChem CID19930955
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name5-(1-benzothiophen-3-yl)-2H-tetrazole
SMILESc1ccc2c(-c3nn[nH]n3)csc2c1
InChIInChI=1S/C9H6N4S/c1-2-4-8-6(3-1)7(5-14-8)9-10-12-13-11-9/h1-5H,(H,10,11,12,13)
InChIKeyIMIKRVRSGVCYSH-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-2H-tetrazole?
The IUPAC name of 5-(1-benzothiophen-3-yl)-2H-tetrazole (CID 19930955) is 5-(1-benzothiophen-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-2H-tetrazole is c1ccc2c(-c3nn[nH]n3)csc2c1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-2H-tetrazole?
The InChIKey is IMIKRVRSGVCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-4-8-6(3-1)7(5-14-8)9-10-12-13-11-9/h1-5H,(H,10,11,12,13).
What are the key properties of 5-(1-benzothiophen-3-yl)-2H-tetrazole?
5-(1-benzothiophen-3-yl)-2H-tetrazole has a molecular weight of 202.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-2H-tetrazole is sourced from PubChem (CID 19930955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).