2-iodothieno[3,2-g][1]benzothiole

C10H5IS2 — CID 144775471

IUPAC2-iodothieno[3,2-g][1]benzothiole
SMILESIc1cc2ccc3ccsc3c2s1
InChIInChI=1S/C10H5IS2/c11-8-5-7-2-1-6-3-4-12-9(6)10(7)13-8/h1-5H
InChIKeyMCSINTVOHWYAJH-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.72
Rot. Bonds

About 2-iodothieno[3,2-g][1]benzothiole

2-iodothieno[3,2-g][1]benzothiole (PubChem CID 144775471) has the molecular formula C10H5IS2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-iodothieno[3,2-g][1]benzothiole.

Molecular Properties

Compound Name2-iodothieno[3,2-g][1]benzothiole
PubChem CID144775471
Molecular FormulaC10H5IS2
Molecular Weight316.19 g/mol
Exact Mass315.89
IUPAC Name2-iodothieno[3,2-g][1]benzothiole
SMILESIc1cc2ccc3ccsc3c2s1
InChIInChI=1S/C10H5IS2/c11-8-5-7-2-1-6-3-4-12-9(6)10(7)13-8/h1-5H
InChIKeyMCSINTVOHWYAJH-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodothieno[3,2-g][1]benzothiole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylthieno[3,2-g][1]benzothiole
CID 145022999
[1]benzothiolo[7,6-b][1]benzothiole
CID 13164288
7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58410706
7-chloro-6-(chloromethyl)-2-iodo-1-benzothiophene
CID 130969342
2,7-diiodo-6-methoxy-1-benzothiophene
CID 131215410
3,7,18,22-tetrathiaoctacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene
CID 123242339
7-ethyl-2-iodo-1-benzothiophene-6-thiol
CID 130941172
(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
CID 131124401
5-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2-[5-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2-pyridinyl]pyridine
CID 170275037
7-bromo-5-fluoro-6-iodo-1-benzothiophene
CID 130955655
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847
thieno[3,2-g][1,3]benzothiazole
CID 45077418

Frequently Asked Questions

What is the IUPAC name of 2-iodothieno[3,2-g][1]benzothiole?
The IUPAC name of 2-iodothieno[3,2-g][1]benzothiole (CID 144775471) is 2-iodothieno[3,2-g][1]benzothiole.
What is the SMILES notation for 2-iodothieno[3,2-g][1]benzothiole?
The canonical SMILES for 2-iodothieno[3,2-g][1]benzothiole is Ic1cc2ccc3ccsc3c2s1.
What is the InChIKey of 2-iodothieno[3,2-g][1]benzothiole?
The InChIKey is MCSINTVOHWYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IS2/c11-8-5-7-2-1-6-3-4-12-9(6)10(7)13-8/h1-5H.
What are the key properties of 2-iodothieno[3,2-g][1]benzothiole?
2-iodothieno[3,2-g][1]benzothiole has a molecular weight of 316.19 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodothieno[3,2-g][1]benzothiole is sourced from PubChem (CID 144775471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).