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

2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
CID 141214652
3-chloro-4-(2-methylpropyl)thiophene
CID 146177932
5-chloro-3-(2-methylpropyl)-1,2-thiazole
CID 83906140
5-chloro-4-(2-methylpropyl)-1,2-thiazole
CID 140701370
2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 130516681
5-iodo-1,2,3-tris(2-methylpropyl)benzene
CID 170062078
methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
CID 97034573
6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
CID 65306195
1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
CID 118359557
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
CID 118359640

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).