2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene

C9H5I3S2 — CID 134971572

IUPAC2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene
SMILESIc1sccc1C(I)c1ccsc1I
InChIInChI=1S/C9H5I3S2/c10-7(5-1-3-13-8(5)11)6-2-4-14-9(6)12/h1-4,7H
InChIKeySEMZTQRGSDIQCT-UHFFFAOYSA-N
MW557.99 g/mol
LogP5.54
Rot. Bonds2

About 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene

2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene (PubChem CID 134971572) has the molecular formula C9H5I3S2 and a molecular weight of 557.99 g/mol. Its IUPAC name is 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene.

Molecular Properties

Compound Name2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene
PubChem CID134971572
Molecular FormulaC9H5I3S2
Molecular Weight557.99 g/mol
Exact Mass557.70
IUPAC Name2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene
SMILESIc1sccc1C(I)c1ccsc1I
InChIInChI=1S/C9H5I3S2/c10-7(5-1-3-13-8(5)11)6-2-4-14-9(6)12/h1-4,7H
InChIKeySEMZTQRGSDIQCT-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.99
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodothiophene
CID 630668
3-chloro-2-iodothiophene
CID 19963271
1-(3-iodothiophen-2-yl)ethanamine
CID 130160720
2-(3,3-dimethylbutyl)-4-fluoro-N-[(2-iodothiophen-3-yl)-methoxymethyl]aniline
CID 143086151
2-iodo-3-thiophen-3-ylthiophene
CID 90185098
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
(2S)-2-(2-bromothiophen-3-yl)-2-nitroethanol
CID 166667214
methyl 3-(1-iodoethyl)thiophene-2-carboxylate
CID 54326212
(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 130648455
2-(2-ethylthiophen-3-yl)propane-1,3-diamine
CID 70508164
2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione;bis(3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene)
CID 139204020
2,3-di(propan-2-yl)thiophene;ethane;methane
CID 161153650

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene?
The IUPAC name of 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene (CID 134971572) is 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene.
What is the SMILES notation for 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene?
The canonical SMILES for 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene is Ic1sccc1C(I)c1ccsc1I.
What is the InChIKey of 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene?
The InChIKey is SEMZTQRGSDIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5I3S2/c10-7(5-1-3-13-8(5)11)6-2-4-14-9(6)12/h1-4,7H.
What are the key properties of 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene?
2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene has a molecular weight of 557.99 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene is sourced from PubChem (CID 134971572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).