2H-triazol-4-ylmethyl thiohypoiodite

C3H4IN3S — CID 118680639

IUPAC2H-triazol-4-ylmethyl thiohypoiodite
SMILESISCc1cn[nH]n1
InChIInChI=1S/C3H4IN3S/c4-8-2-3-1-5-7-6-3/h1H,2H2,(H,5,6,7)
InChIKeyGLYAPTAFRXXTPC-UHFFFAOYSA-N
MW241.06 g/mol
LogP1.39
Rot. Bonds2

About 2H-triazol-4-ylmethyl thiohypoiodite

2H-triazol-4-ylmethyl thiohypoiodite (PubChem CID 118680639) has the molecular formula C3H4IN3S and a molecular weight of 241.06 g/mol. Its IUPAC name is 2H-triazol-4-ylmethyl thiohypoiodite.

Molecular Properties

Compound Name2H-triazol-4-ylmethyl thiohypoiodite
PubChem CID118680639
Molecular FormulaC3H4IN3S
Molecular Weight241.06 g/mol
Exact Mass240.92
IUPAC Name2H-triazol-4-ylmethyl thiohypoiodite
SMILESISCc1cn[nH]n1
InChIInChI=1S/C3H4IN3S/c4-8-2-3-1-5-7-6-3/h1H,2H2,(H,5,6,7)
InChIKeyGLYAPTAFRXXTPC-UHFFFAOYSA-N
XLogP1.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1H-1,2,3-triazole
CID 12933420
4-(propan-2-ylsulfanylmethyl)-2H-triazole
CID 14359225
3-Amino-5-methyltriazole
CID 18688999
Mercaptomethyltriazole
CID 20487090
5-(Ethylsulfanylmethyl)triazole
CID 59154928
4-(fluoromethyl)-2H-triazole
CID 69108101
2-(2H-triazol-4-yl)ethanethial
CID 20445639
2H-triazole-4-carbothialdehyde
CID 20451878
1-(2H-triazol-4-yl)ethanethiol
CID 20487086
4-(methylsulfanylmethyl)-2H-triazole
CID 21659096
5-Methyl-1H-1,2,3-triazol-1-amine
CID 21783394
ethane;4-methyl-2H-triazole
CID 53928305

Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-ylmethyl thiohypoiodite?
The IUPAC name of 2H-triazol-4-ylmethyl thiohypoiodite (CID 118680639) is 2H-triazol-4-ylmethyl thiohypoiodite.
What is the SMILES notation for 2H-triazol-4-ylmethyl thiohypoiodite?
The canonical SMILES for 2H-triazol-4-ylmethyl thiohypoiodite is ISCc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylmethyl thiohypoiodite?
The InChIKey is GLYAPTAFRXXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4IN3S/c4-8-2-3-1-5-7-6-3/h1H,2H2,(H,5,6,7).
What are the key properties of 2H-triazol-4-ylmethyl thiohypoiodite?
2H-triazol-4-ylmethyl thiohypoiodite has a molecular weight of 241.06 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylmethyl thiohypoiodite is sourced from PubChem (CID 118680639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).