1H-indazol-6-ylthiourea

C8H8N4S — CID 2764168

IUPAC1H-indazol-6-ylthiourea
SMILESNC(=S)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C8H8N4S/c9-8(13)11-6-2-1-5-4-10-12-7(5)3-6/h1-4H,(H,10,12)(H3,9,11,13)
InChIKeyZEZWIBRGVUVPJD-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.22
Rot. Bonds1

About 1H-indazol-6-ylthiourea

1H-indazol-6-ylthiourea (PubChem CID 2764168) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 1H-indazol-6-ylthiourea.

Molecular Properties

Compound Name1H-indazol-6-ylthiourea
PubChem CID2764168
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name1H-indazol-6-ylthiourea
SMILESNC(=S)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C8H8N4S/c9-8(13)11-6-2-1-5-4-10-12-7(5)3-6/h1-4H,(H,10,12)(H3,9,11,13)
InChIKeyZEZWIBRGVUVPJD-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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Related Compounds

1H-Indazol-6-amine
CID 81423
2-Methyl-2H-indazol-6-amine
CID 590220
N,N'-Di(1H-indazol-6-yl)thiourea
CID 3003797
(6-methyl-1H-indazol-5-yl)thiourea
CID 1482600
N-benzoyl-N'-(1H-indazol-6-yl)thiourea
CID 1481180
1-(1H-indazol-6-yl)-3-prop-2-enylthiourea
CID 2396742
1-(1H-indazol-6-yl)-3-phenylthiourea
CID 2396745
1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396755
N-allyl-N'-(1H-indazol-4-yl)thiourea
CID 2768371
1-(1H-indazol-6-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 4536543
N-(1H-indazol-7-yl)thiourea
CID 1477347
(6-methyl-1H-indazol-7-yl)thiourea
CID 1482588

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-ylthiourea?
The IUPAC name of 1H-indazol-6-ylthiourea (CID 2764168) is 1H-indazol-6-ylthiourea.
What is the SMILES notation for 1H-indazol-6-ylthiourea?
The canonical SMILES for 1H-indazol-6-ylthiourea is NC(=S)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1H-indazol-6-ylthiourea?
The InChIKey is ZEZWIBRGVUVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-8(13)11-6-2-1-5-4-10-12-7(5)3-6/h1-4H,(H,10,12)(H3,9,11,13).
What are the key properties of 1H-indazol-6-ylthiourea?
1H-indazol-6-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-6-ylthiourea is sourced from PubChem (CID 2764168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).