2H-benzotriazole;thiophene

C10H9N3S — CID 118437257

IUPAC2H-benzotriazole;thiophene
SMILESc1ccc2n[nH]nc2c1.c1ccsc1
InChIInChI=1S/C6H5N3.C4H4S/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H,(H,7,8,9);1-4H
InChIKeyZZANWBXGYQVPCW-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.71
Rot. Bonds

About 2H-benzotriazole;thiophene

2H-benzotriazole;thiophene (PubChem CID 118437257) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2H-benzotriazole;thiophene.

Molecular Properties

Compound Name2H-benzotriazole;thiophene
PubChem CID118437257
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2H-benzotriazole;thiophene
SMILESc1ccc2n[nH]nc2c1.c1ccsc1
InChIInChI=1S/C6H5N3.C4H4S/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H,(H,7,8,9);1-4H
InChIKeyZZANWBXGYQVPCW-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;thiophene?
The IUPAC name of 2H-benzotriazole;thiophene (CID 118437257) is 2H-benzotriazole;thiophene.
What is the SMILES notation for 2H-benzotriazole;thiophene?
The canonical SMILES for 2H-benzotriazole;thiophene is c1ccc2n[nH]nc2c1.c1ccsc1.
What is the InChIKey of 2H-benzotriazole;thiophene?
The InChIKey is ZZANWBXGYQVPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C4H4S/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H,(H,7,8,9);1-4H.
What are the key properties of 2H-benzotriazole;thiophene?
2H-benzotriazole;thiophene has a molecular weight of 203.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;thiophene is sourced from PubChem (CID 118437257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).