3-[(2S)-2,3-dimethylbutyl]thiophene

C10H16S — CID 130210876

IUPAC3-[(2S)-2,3-dimethylbutyl]thiophene
SMILESCC(C)[C@@H](C)Cc1ccsc1
InChIInChI=1S/C10H16S/c1-8(2)9(3)6-10-4-5-11-7-10/h4-5,7-9H,6H2,1-3H3/t9-/m0/s1
InChIKeyARBPZINNIVPUPS-VIFPVBQESA-N
MW168.31 g/mol
LogP3.58
Rot. Bonds3

About 3-[(2S)-2,3-dimethylbutyl]thiophene

3-[(2S)-2,3-dimethylbutyl]thiophene (PubChem CID 130210876) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-[(2S)-2,3-dimethylbutyl]thiophene.

Molecular Properties

Compound Name3-[(2S)-2,3-dimethylbutyl]thiophene
PubChem CID130210876
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-[(2S)-2,3-dimethylbutyl]thiophene
SMILESCC(C)[C@@H](C)Cc1ccsc1
InChIInChI=1S/C10H16S/c1-8(2)9(3)6-10-4-5-11-7-10/h4-5,7-9H,6H2,1-3H3/t9-/m0/s1
InChIKeyARBPZINNIVPUPS-VIFPVBQESA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dimethyloctyl)thiophene
CID 22501098
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-(2-fluoropropyl)thiophene
CID 74766003
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-(propan-2-yloxymethyl)thiophene
CID 146745191
3-(2-ethylbutyl)thiophene
CID 89133993
3-(2,2-dibromoethyl)thiophene
CID 174416053
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
3-(4-bromo-2-methylpentyl)thiophene
CID 64721699

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dimethylbutyl]thiophene?
The IUPAC name of 3-[(2S)-2,3-dimethylbutyl]thiophene (CID 130210876) is 3-[(2S)-2,3-dimethylbutyl]thiophene.
What is the SMILES notation for 3-[(2S)-2,3-dimethylbutyl]thiophene?
The canonical SMILES for 3-[(2S)-2,3-dimethylbutyl]thiophene is CC(C)[C@@H](C)Cc1ccsc1.
What is the InChIKey of 3-[(2S)-2,3-dimethylbutyl]thiophene?
The InChIKey is ARBPZINNIVPUPS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16S/c1-8(2)9(3)6-10-4-5-11-7-10/h4-5,7-9H,6H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-[(2S)-2,3-dimethylbutyl]thiophene?
3-[(2S)-2,3-dimethylbutyl]thiophene has a molecular weight of 168.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dimethylbutyl]thiophene is sourced from PubChem (CID 130210876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).