2H-thieno[2,3-f]benzotriazole

C8H5N3S — CID 90249375

IUPAC2H-thieno[2,3-f]benzotriazole
SMILESc1cc2cc3n[nH]nc3cc2s1
InChIInChI=1S/C8H5N3S/c1-2-12-8-4-7-6(3-5(1)8)9-11-10-7/h1-4H,(H,9,10,11)
InChIKeySLOLTBWINQQTDE-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.17
Rot. Bonds

About 2H-thieno[2,3-f]benzotriazole

2H-thieno[2,3-f]benzotriazole (PubChem CID 90249375) has the molecular formula C8H5N3S and a molecular weight of 175.22 g/mol. Its IUPAC name is 2H-thieno[2,3-f]benzotriazole.

Molecular Properties

Compound Name2H-thieno[2,3-f]benzotriazole
PubChem CID90249375
Molecular FormulaC8H5N3S
Molecular Weight175.22 g/mol
Exact Mass175.02
IUPAC Name2H-thieno[2,3-f]benzotriazole
SMILESc1cc2cc3n[nH]nc3cc2s1
InChIInChI=1S/C8H5N3S/c1-2-12-8-4-7-6(3-5(1)8)9-11-10-7/h1-4H,(H,9,10,11)
InChIKeySLOLTBWINQQTDE-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tri(heptan-4-yl)-[2-[16-[2-tri(heptan-4-yl)silylethynyl]-8,22-dithia-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3,5(13),6,9,11,14,16,18,20,23,25,27-tridecaen-2-yl]ethynyl]silane
CID 59467648
thieno[3,2-f][2]benzofuran
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5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410946
7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58410823
4-(1-benzothiophen-5-yl)-1H-pyrazole
CID 67417702
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
5,6-ditert-butyl-1-benzothiophene
CID 58774764
5-methylthieno[2,3-c]pyridine
CID 21416670
6-fluoro-1-benzothiophene
CID 19088018
5-bromo-1-benzothiophene
CID 2776578
6-bromo-1-benzothiophene
CID 12744400
7,20-dithiaheptacyclo[14.10.0.03,14.04,12.06,10.017,25.019,23]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene;propane
CID 142370528

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-f]benzotriazole?
The IUPAC name of 2H-thieno[2,3-f]benzotriazole (CID 90249375) is 2H-thieno[2,3-f]benzotriazole.
What is the SMILES notation for 2H-thieno[2,3-f]benzotriazole?
The canonical SMILES for 2H-thieno[2,3-f]benzotriazole is c1cc2cc3n[nH]nc3cc2s1.
What is the InChIKey of 2H-thieno[2,3-f]benzotriazole?
The InChIKey is SLOLTBWINQQTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3S/c1-2-12-8-4-7-6(3-5(1)8)9-11-10-7/h1-4H,(H,9,10,11).
What are the key properties of 2H-thieno[2,3-f]benzotriazole?
2H-thieno[2,3-f]benzotriazole has a molecular weight of 175.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-f]benzotriazole is sourced from PubChem (CID 90249375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).