2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene

C13H18Cl2S — CID 102764774

IUPAC2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2C(C)(C)C2(C)C)sc1Cl
InChIInChI=1S/C13H18Cl2S/c1-7-6-8(16-11(7)15)9(14)10-12(2,3)13(10,4)5/h6,9-10H,1-5H3
InChIKeyRSZXXWNLNWBHSL-UHFFFAOYSA-N
MW277.26 g/mol
LogP5.67
Rot. Bonds2

About 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene

2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene (PubChem CID 102764774) has the molecular formula C13H18Cl2S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
PubChem CID102764774
Molecular FormulaC13H18Cl2S
Molecular Weight277.26 g/mol
Exact Mass276.05
IUPAC Name2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2C(C)(C)C2(C)C)sc1Cl
InChIInChI=1S/C13H18Cl2S/c1-7-6-8(16-11(7)15)9(14)10-12(2,3)13(10,4)5/h6,9-10H,1-5H3
InChIKeyRSZXXWNLNWBHSL-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.26
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
CID 106893999
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
CID 102764740
2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
CID 102764691
5-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-chloro-3-methylthiophene
CID 102764636
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene
CID 102764813
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene
CID 102764676
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
CID 103166064
5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
CID 102764964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene (CID 102764774) is 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene is Cc1cc(C(Cl)C2C(C)(C)C2(C)C)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene?
The InChIKey is RSZXXWNLNWBHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2S/c1-7-6-8(16-11(7)15)9(14)10-12(2,3)13(10,4)5/h6,9-10H,1-5H3.
What are the key properties of 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene has a molecular weight of 277.26 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).