1H-[1]benzothiolo[2,3-g]indazole

C13H8N2S — CID 166069972

IUPAC1H-[1]benzothiolo[2,3-g]indazole
SMILESc1ccc2c(c1)sc1ccc3cn[nH]c3c12
InChIInChI=1S/C13H8N2S/c1-2-4-10-9(3-1)12-11(16-10)6-5-8-7-14-15-13(8)12/h1-7H,(H,14,15)
InChIKeyVXGUFMBPYJLPES-UHFFFAOYSA-N
MW224.29 g/mol
LogP3.93
Rot. Bonds

About 1H-[1]benzothiolo[2,3-g]indazole

1H-[1]benzothiolo[2,3-g]indazole (PubChem CID 166069972) has the molecular formula C13H8N2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1H-[1]benzothiolo[2,3-g]indazole.

Molecular Properties

Compound Name1H-[1]benzothiolo[2,3-g]indazole
PubChem CID166069972
Molecular FormulaC13H8N2S
Molecular Weight224.29 g/mol
Exact Mass224.04
IUPAC Name1H-[1]benzothiolo[2,3-g]indazole
SMILESc1ccc2c(c1)sc1ccc3cn[nH]c3c12
InChIInChI=1S/C13H8N2S/c1-2-4-10-9(3-1)12-11(16-10)6-5-8-7-14-15-13(8)12/h1-7H,(H,14,15)
InChIKeyVXGUFMBPYJLPES-UHFFFAOYSA-N
XLogP3.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1]benzothiolo[2,3-h]isoquinoline
CID 14871970
10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
12,29,46-trithia-3,20,37-triazatridecacyclo[34.15.0.02,18.04,16.05,13.06,11.019,35.021,33.022,30.023,28.038,50.039,47.040,45]henpentaconta-1,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31,35,38(50),39(47),40,42,44,48-henicosaene-17,34,51-trione
CID 142384547
9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 13284338
1-bromonaphtho[2,1-b][1]benzothiole
CID 142294349
11-thia-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaene
CID 126621727
2-(5,6-diphenyltriazin-4-yl)-1H-[1]benzothiolo[2,3-g]indole
CID 166134034
1-methyldibenzothiophene
CID 23839
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
11-thiaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaene
CID 160770648
17-methyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117299
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 1H-[1]benzothiolo[2,3-g]indazole?
The IUPAC name of 1H-[1]benzothiolo[2,3-g]indazole (CID 166069972) is 1H-[1]benzothiolo[2,3-g]indazole.
What is the SMILES notation for 1H-[1]benzothiolo[2,3-g]indazole?
The canonical SMILES for 1H-[1]benzothiolo[2,3-g]indazole is c1ccc2c(c1)sc1ccc3cn[nH]c3c12.
What is the InChIKey of 1H-[1]benzothiolo[2,3-g]indazole?
The InChIKey is VXGUFMBPYJLPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2S/c1-2-4-10-9(3-1)12-11(16-10)6-5-8-7-14-15-13(8)12/h1-7H,(H,14,15).
What are the key properties of 1H-[1]benzothiolo[2,3-g]indazole?
1H-[1]benzothiolo[2,3-g]indazole has a molecular weight of 224.29 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1]benzothiolo[2,3-g]indazole is sourced from PubChem (CID 166069972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).