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

C10H8N4S — CID 19977107

IUPAC5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole
SMILESCc1csc2ccc(-c3nn[nH]n3)cc12
InChIInChI=1S/C10H8N4S/c1-6-5-15-9-3-2-7(4-8(6)9)10-11-13-14-12-10/h2-5H,1H3,(H,11,12,13,14)
InChIKeyKLRSKCISCBIOGE-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.39
Rot. Bonds1

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

5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole (PubChem CID 19977107) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole
PubChem CID19977107
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole
SMILESCc1csc2ccc(-c3nn[nH]n3)cc12
InChIInChI=1S/C10H8N4S/c1-6-5-15-9-3-2-7(4-8(6)9)10-11-13-14-12-10/h2-5H,1H3,(H,11,12,13,14)
InChIKeyKLRSKCISCBIOGE-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole?
The IUPAC name of 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole (CID 19977107) is 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole?
The canonical SMILES for 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole is Cc1csc2ccc(-c3nn[nH]n3)cc12.
What is the InChIKey of 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole?
The InChIKey is KLRSKCISCBIOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-6-5-15-9-3-2-7(4-8(6)9)10-11-13-14-12-10/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole?
5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole has a molecular weight of 216.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole is sourced from PubChem (CID 19977107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).