(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone

C10H7IOS2 — CID 79685566

IUPAC(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1csc(I)c1
InChIInChI=1S/C10H7IOS2/c1-6-2-3-13-10(6)9(12)7-4-8(11)14-5-7/h2-5H,1H3
InChIKeyYNTTYURJVAGMKG-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.95
Rot. Bonds2

About (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone

(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 79685566) has the molecular formula C10H7IOS2 and a molecular weight of 334.20 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID79685566
Molecular FormulaC10H7IOS2
Molecular Weight334.20 g/mol
Exact Mass333.90
IUPAC Name(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1csc(I)c1
InChIInChI=1S/C10H7IOS2/c1-6-2-3-13-10(6)9(12)7-4-8(11)14-5-7/h2-5H,1H3
InChIKeyYNTTYURJVAGMKG-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 79686034
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 55006814
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
CID 78948667
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685758
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 114963054
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone (CID 79685566) is (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1csc(I)c1.
What is the InChIKey of (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is YNTTYURJVAGMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IOS2/c1-6-2-3-13-10(6)9(12)7-4-8(11)14-5-7/h2-5H,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone?
(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 334.20 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79685566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).