(2-methylindazol-5-yl)thiourea

C9H10N4S — CID 1491257

IUPAC(2-methylindazol-5-yl)thiourea
SMILESCn1cc2cc(NC(N)=S)ccc2n1
InChIInChI=1S/C9H10N4S/c1-13-5-6-4-7(11-9(10)14)2-3-8(6)12-13/h2-5H,1H3,(H3,10,11,14)
InChIKeySSNQBGWVRZEBLN-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.23
Rot. Bonds1

About (2-methylindazol-5-yl)thiourea

(2-methylindazol-5-yl)thiourea (PubChem CID 1491257) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2-methylindazol-5-yl)thiourea.

Molecular Properties

Compound Name(2-methylindazol-5-yl)thiourea
PubChem CID1491257
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name(2-methylindazol-5-yl)thiourea
SMILESCn1cc2cc(NC(N)=S)ccc2n1
InChIInChI=1S/C9H10N4S/c1-13-5-6-4-7(11-9(10)14)2-3-8(6)12-13/h2-5H,1H3,(H3,10,11,14)
InChIKeySSNQBGWVRZEBLN-UHFFFAOYSA-N
XLogP1.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2-methylindazol-5-yl)thiourea?
The IUPAC name of (2-methylindazol-5-yl)thiourea (CID 1491257) is (2-methylindazol-5-yl)thiourea.
What is the SMILES notation for (2-methylindazol-5-yl)thiourea?
The canonical SMILES for (2-methylindazol-5-yl)thiourea is Cn1cc2cc(NC(N)=S)ccc2n1.
What is the InChIKey of (2-methylindazol-5-yl)thiourea?
The InChIKey is SSNQBGWVRZEBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-13-5-6-4-7(11-9(10)14)2-3-8(6)12-13/h2-5H,1H3,(H3,10,11,14).
What are the key properties of (2-methylindazol-5-yl)thiourea?
(2-methylindazol-5-yl)thiourea has a molecular weight of 206.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindazol-5-yl)thiourea is sourced from PubChem (CID 1491257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).