2,5-diiodo-3-methylsulfanylthiophene

C5H4I2S2 — CID 102403803

IUPAC2,5-diiodo-3-methylsulfanylthiophene
SMILESCSc1cc(I)sc1I
InChIInChI=1S/C5H4I2S2/c1-8-3-2-4(6)9-5(3)7/h2H,1H3
InChIKeySTLOYNJPBNKSFC-UHFFFAOYSA-N
MW382.03 g/mol
LogP3.68
Rot. Bonds1

About 2,5-diiodo-3-methylsulfanylthiophene

2,5-diiodo-3-methylsulfanylthiophene (PubChem CID 102403803) has the molecular formula C5H4I2S2 and a molecular weight of 382.03 g/mol. Its IUPAC name is 2,5-diiodo-3-methylsulfanylthiophene.

Molecular Properties

Compound Name2,5-diiodo-3-methylsulfanylthiophene
PubChem CID102403803
Molecular FormulaC5H4I2S2
Molecular Weight382.03 g/mol
Exact Mass381.78
IUPAC Name2,5-diiodo-3-methylsulfanylthiophene
SMILESCSc1cc(I)sc1I
InChIInChI=1S/C5H4I2S2/c1-8-3-2-4(6)9-5(3)7/h2H,1H3
InChIKeySTLOYNJPBNKSFC-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.03
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
CID 131002405
2,4-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130941735
2-iodo-7-methylsulfanyl-1-benzothiophen-5-amine
CID 130816712
6-(chloromethyl)-2-iodo-4-methylsulfanyl-1-benzothiophene
CID 131097083
2-iodo-7-methylsulfanyl-1-benzothiophene-5-carbaldehyde
CID 130913565
2-iodo-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131029506
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
2,5-dibromo-3-methylsulfanylthiophene
CID 13415222
2,6-difluoro-5-methylsulfanyl-1-benzothiophene
CID 130969665
3-ethylsulfanyl-5-iodothiophene-2-carboxylic acid
CID 122640400
3-iodo-5-methylsulfanyl-1-benzothiophen-6-ol
CID 130942213
1,3,4-triiodo-5-methylsulfanyl-2-(2,3,6-triiodo-4-methylsulfanylphenyl)sulfanylbenzene
CID 139623595

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodo-3-methylsulfanylthiophene?
The IUPAC name of 2,5-diiodo-3-methylsulfanylthiophene (CID 102403803) is 2,5-diiodo-3-methylsulfanylthiophene.
What is the SMILES notation for 2,5-diiodo-3-methylsulfanylthiophene?
The canonical SMILES for 2,5-diiodo-3-methylsulfanylthiophene is CSc1cc(I)sc1I.
What is the InChIKey of 2,5-diiodo-3-methylsulfanylthiophene?
The InChIKey is STLOYNJPBNKSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4I2S2/c1-8-3-2-4(6)9-5(3)7/h2H,1H3.
What are the key properties of 2,5-diiodo-3-methylsulfanylthiophene?
2,5-diiodo-3-methylsulfanylthiophene has a molecular weight of 382.03 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodo-3-methylsulfanylthiophene is sourced from PubChem (CID 102403803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).