5-chloro-2,3-bis(2-methylpropyl)thiophene

C12H19ClS — CID 175272669

IUPAC5-chloro-2,3-bis(2-methylpropyl)thiophene
SMILESCC(C)Cc1cc(Cl)sc1CC(C)C
InChIInChI=1S/C12H19ClS/c1-8(2)5-10-7-12(13)14-11(10)6-9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyAHJXXMDBHJMOJE-UHFFFAOYSA-N
MW230.80 g/mol
LogP4.80
Rot. Bonds4

About 5-chloro-2,3-bis(2-methylpropyl)thiophene

5-chloro-2,3-bis(2-methylpropyl)thiophene (PubChem CID 175272669) has the molecular formula C12H19ClS and a molecular weight of 230.80 g/mol. Its IUPAC name is 5-chloro-2,3-bis(2-methylpropyl)thiophene.

Molecular Properties

Compound Name5-chloro-2,3-bis(2-methylpropyl)thiophene
PubChem CID175272669
Molecular FormulaC12H19ClS
Molecular Weight230.80 g/mol
Exact Mass230.09
IUPAC Name5-chloro-2,3-bis(2-methylpropyl)thiophene
SMILESCC(C)Cc1cc(Cl)sc1CC(C)C
InChIInChI=1S/C12H19ClS/c1-8(2)5-10-7-12(13)14-11(10)6-9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyAHJXXMDBHJMOJE-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Chloromethyl)-2,5-dimethylthiophene
CID 12875261
4-Chloromethyl-2-isobutyl-thiophene
CID 10465098
5-Butyl-2,3-dimethylthiophene
CID 528235
2,3-Dimethyl-5-propylthiophene
CID 528242
2-Butyl-3,5-dimethylthiophene
CID 528243
3,5-Dimethyl-2-propylthiophene
CID 528254
2-Benzyl-5-chlorothiophene
CID 14043781
2-Chloro-5-phenylthiophene
CID 15531095
3-Chloro-2,5-diphenylthiophene
CID 25270072
4-(4-Chlorophenyl)-2-methylthiophene
CID 57741747
2-(5-Chlorothiophen-2-yl)-5-cyclohexylthiophene
CID 184754
2-Butyl-5-chloro-thiophene
CID 54565567

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-bis(2-methylpropyl)thiophene?
The IUPAC name of 5-chloro-2,3-bis(2-methylpropyl)thiophene (CID 175272669) is 5-chloro-2,3-bis(2-methylpropyl)thiophene.
What is the SMILES notation for 5-chloro-2,3-bis(2-methylpropyl)thiophene?
The canonical SMILES for 5-chloro-2,3-bis(2-methylpropyl)thiophene is CC(C)Cc1cc(Cl)sc1CC(C)C.
What is the InChIKey of 5-chloro-2,3-bis(2-methylpropyl)thiophene?
The InChIKey is AHJXXMDBHJMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClS/c1-8(2)5-10-7-12(13)14-11(10)6-9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-chloro-2,3-bis(2-methylpropyl)thiophene?
5-chloro-2,3-bis(2-methylpropyl)thiophene has a molecular weight of 230.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-bis(2-methylpropyl)thiophene is sourced from PubChem (CID 175272669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).