1H-indazol-4-ylthiourea

C8H8N4S — CID 3751694

IUPAC1H-indazol-4-ylthiourea
SMILESNC(=S)Nc1cccc2[nH]ncc12
InChIInChI=1S/C8H8N4S/c9-8(13)11-6-2-1-3-7-5(6)4-10-12-7/h1-4H,(H,10,12)(H3,9,11,13)
InChIKeyYOIVTJPUQKBFBU-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.22
Rot. Bonds1

About 1H-indazol-4-ylthiourea

1H-indazol-4-ylthiourea (PubChem CID 3751694) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 1H-indazol-4-ylthiourea.

Molecular Properties

Compound Name1H-indazol-4-ylthiourea
PubChem CID3751694
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name1H-indazol-4-ylthiourea
SMILESNC(=S)Nc1cccc2[nH]ncc12
InChIInChI=1S/C8H8N4S/c9-8(13)11-6-2-1-3-7-5(6)4-10-12-7/h1-4H,(H,10,12)(H3,9,11,13)
InChIKeyYOIVTJPUQKBFBU-UHFFFAOYSA-N
XLogP1.22
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-ylthiourea?
The IUPAC name of 1H-indazol-4-ylthiourea (CID 3751694) is 1H-indazol-4-ylthiourea.
What is the SMILES notation for 1H-indazol-4-ylthiourea?
The canonical SMILES for 1H-indazol-4-ylthiourea is NC(=S)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-ylthiourea?
The InChIKey is YOIVTJPUQKBFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-8(13)11-6-2-1-3-7-5(6)4-10-12-7/h1-4H,(H,10,12)(H3,9,11,13).
What are the key properties of 1H-indazol-4-ylthiourea?
1H-indazol-4-ylthiourea has a molecular weight of 192.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-ylthiourea is sourced from PubChem (CID 3751694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).