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

C10H6BrIOS2 — CID 130576016

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
SMILESCc1sc(C(=O)c2sccc2I)cc1Br
InChIInChI=1S/C10H6BrIOS2/c1-5-6(11)4-8(15-5)9(13)10-7(12)2-3-14-10/h2-4H,1H3
InChIKeyBMZWXPWHKBLUQY-UHFFFAOYSA-N
MW413.10 g/mol
LogP4.72
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone

(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone (PubChem CID 130576016) has the molecular formula C10H6BrIOS2 and a molecular weight of 413.10 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
PubChem CID130576016
Molecular FormulaC10H6BrIOS2
Molecular Weight413.10 g/mol
Exact Mass411.81
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
SMILESCc1sc(C(=O)c2sccc2I)cc1Br
InChIInChI=1S/C10H6BrIOS2/c1-5-6(11)4-8(15-5)9(13)10-7(12)2-3-14-10/h2-4H,1H3
InChIKeyBMZWXPWHKBLUQY-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.10
LogP ≤ 54.72
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

(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534
(4-bromo-5-methylthiophen-2-yl)-(3-iodophenyl)methanone
CID 102826651
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone
CID 130593330
(4-bromo-1-methylpyrazol-5-yl)-(3-iodothiophen-2-yl)methanone
CID 130576559
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
CID 102826512
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone (CID 130576016) is (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone is Cc1sc(C(=O)c2sccc2I)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone?
The InChIKey is BMZWXPWHKBLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrIOS2/c1-5-6(11)4-8(15-5)9(13)10-7(12)2-3-14-10/h2-4H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone has a molecular weight of 413.10 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone is sourced from PubChem (CID 130576016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).