2,1,3-benzothiadiazole;thiophene

C10H8N2S2 — CID 68810474

IUPAC2,1,3-benzothiadiazole;thiophene
SMILESc1ccc2nsnc2c1.c1ccsc1
InChIInChI=1S/C6H4N2S.C4H4S/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H;1-4H
InChIKeyTZTTUNOVVMWTLS-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.44
Rot. Bonds

About 2,1,3-benzothiadiazole;thiophene

2,1,3-benzothiadiazole;thiophene (PubChem CID 68810474) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole;thiophene.

Molecular Properties

Compound Name2,1,3-benzothiadiazole;thiophene
PubChem CID68810474
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name2,1,3-benzothiadiazole;thiophene
SMILESc1ccc2nsnc2c1.c1ccsc1
InChIInChI=1S/C6H4N2S.C4H4S/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H;1-4H
InChIKeyTZTTUNOVVMWTLS-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole;thiophene?
The IUPAC name of 2,1,3-benzothiadiazole;thiophene (CID 68810474) is 2,1,3-benzothiadiazole;thiophene.
What is the SMILES notation for 2,1,3-benzothiadiazole;thiophene?
The canonical SMILES for 2,1,3-benzothiadiazole;thiophene is c1ccc2nsnc2c1.c1ccsc1.
What is the InChIKey of 2,1,3-benzothiadiazole;thiophene?
The InChIKey is TZTTUNOVVMWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S.C4H4S/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H;1-4H.
What are the key properties of 2,1,3-benzothiadiazole;thiophene?
2,1,3-benzothiadiazole;thiophene has a molecular weight of 220.32 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazole;thiophene is sourced from PubChem (CID 68810474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).