2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene

C11H11IS2 — CID 129178875

IUPAC2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene
SMILESCc1ccc(-c2ccc(C(C)I)s2)s1
InChIInChI=1S/C11H11IS2/c1-7-3-4-10(13-7)11-6-5-9(14-11)8(2)12/h3-6,8H,1-2H3
InChIKeyYHIHTVIEJPEPLH-UHFFFAOYSA-N
MW334.25 g/mol
LogP5.28
Rot. Bonds2

About 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene

2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene (PubChem CID 129178875) has the molecular formula C11H11IS2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene
PubChem CID129178875
Molecular FormulaC11H11IS2
Molecular Weight334.25 g/mol
Exact Mass333.93
IUPAC Name2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene
SMILESCc1ccc(-c2ccc(C(C)I)s2)s1
InChIInChI=1S/C11H11IS2/c1-7-3-4-10(13-7)11-6-5-9(14-11)8(2)12/h3-6,8H,1-2H3
InChIKeyYHIHTVIEJPEPLH-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.28
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

ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
7,16-bis(5-methylthiophen-2-yl)-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 144714716
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139
2-[1,1-dimethyl-5-(5-methylthiophen-2-yl)silol-2-yl]-5-methylthiophene
CID 23391258
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 63383792
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
3-methyl-5-(5-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 59074795

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene (CID 129178875) is 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene is Cc1ccc(-c2ccc(C(C)I)s2)s1.
What is the InChIKey of 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene?
The InChIKey is YHIHTVIEJPEPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IS2/c1-7-3-4-10(13-7)11-6-5-9(14-11)8(2)12/h3-6,8H,1-2H3.
What are the key properties of 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene?
2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene has a molecular weight of 334.25 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethyl)-5-(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 129178875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).