ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite

C7H8INS2 — CID 177186078

IUPACethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite
SMILESCC.ISC#Cc1cscn1
InChIInChI=1S/C5H2INS2.C2H6/c6-9-2-1-5-3-8-4-7-5;1-2/h3-4H;1-2H3
InChIKeyVXNPGIOSMINRGN-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.56
Rot. Bonds

About ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite

ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite (PubChem CID 177186078) has the molecular formula C7H8INS2 and a molecular weight of 297.19 g/mol. Its IUPAC name is ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite.

Molecular Properties

Compound Nameethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite
PubChem CID177186078
Molecular FormulaC7H8INS2
Molecular Weight297.19 g/mol
Exact Mass296.91
IUPAC Nameethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite
SMILESCC.ISC#Cc1cscn1
InChIInChI=1S/C5H2INS2.C2H6/c6-9-2-1-5-3-8-4-7-5;1-2/h3-4H;1-2H3
InChIKeyVXNPGIOSMINRGN-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[2-(1,3-thiazol-4-yl)ethynyl]-1,3-thiazole
CID 70088513
3-(1,3-thiazol-4-yl)prop-2-ynoic acid
CID 64535385
4-ethynyl-1,3-thiazole;methane
CID 158779504
2-(5-methoxy-2-pyridinyl)ethynyl thiohypoiodite
CID 153356176
2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite
CID 146230258
2-(4-methyl-1,3-thiazol-2-yl)ethynyl thiohypoiodite
CID 155462373
ethane;4-methyl-1,3-thiazole
CID 67067033
4-[2-(3-bromophenyl)ethynyl]-1,3-thiazole
CID 59772767
2-(2-aminopyrimidin-5-yl)ethynyl thiohypoiodite
CID 153387426
4-chloro-2-[(E)-2-(1,3-thiazol-4-yl)prop-1-enyl]aniline
CID 129289929
4-methylsulfinyl-1,3-thiazole
CID 154436442
1,3-thiazol-4-ylphosphane
CID 23047202

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
The IUPAC name of ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite (CID 177186078) is ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite.
What is the SMILES notation for ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
The canonical SMILES for ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite is CC.ISC#Cc1cscn1.
What is the InChIKey of ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
The InChIKey is VXNPGIOSMINRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2INS2.C2H6/c6-9-2-1-5-3-8-4-7-5;1-2/h3-4H;1-2H3.
What are the key properties of ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite?
ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite has a molecular weight of 297.19 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite is sourced from PubChem (CID 177186078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).