3-[(2R)-2-methylbutyl]sulfanylthiophene

C9H14S2 — CID 125451197

IUPAC3-[(2R)-2-methylbutyl]sulfanylthiophene
SMILESCC[C@@H](C)CSc1ccsc1
InChIInChI=1S/C9H14S2/c1-3-8(2)6-11-9-4-5-10-7-9/h4-5,7-8H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyAHJBMZZJXNJWHC-MRVPVSSYSA-N
MW186.34 g/mol
LogP3.89
Rot. Bonds4

About 3-[(2R)-2-methylbutyl]sulfanylthiophene

3-[(2R)-2-methylbutyl]sulfanylthiophene (PubChem CID 125451197) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-[(2R)-2-methylbutyl]sulfanylthiophene.

Molecular Properties

Compound Name3-[(2R)-2-methylbutyl]sulfanylthiophene
PubChem CID125451197
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name3-[(2R)-2-methylbutyl]sulfanylthiophene
SMILESCC[C@@H](C)CSc1ccsc1
InChIInChI=1S/C9H14S2/c1-3-8(2)6-11-9-4-5-10-7-9/h4-5,7-8H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyAHJBMZZJXNJWHC-MRVPVSSYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine
CID 107748996
4-(2-methylbutylsulfanyl)benzoic acid
CID 62105841
2-methyl-N-[[3-(2-methylbutylsulfanyl)phenyl]methyl]propan-1-amine
CID 66349105
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
CID 66349587
1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
CID 155719025
ethyl 2-thiophen-3-ylsulfanylacetate
CID 13099962
[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine
CID 107752068
1-(2-methylbutylsulfanyl)-4-(trifluoromethoxy)benzene
CID 142421289
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine
CID 107765703
3-phenylsulfanylthiophene
CID 2778902

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylbutyl]sulfanylthiophene?
The IUPAC name of 3-[(2R)-2-methylbutyl]sulfanylthiophene (CID 125451197) is 3-[(2R)-2-methylbutyl]sulfanylthiophene.
What is the SMILES notation for 3-[(2R)-2-methylbutyl]sulfanylthiophene?
The canonical SMILES for 3-[(2R)-2-methylbutyl]sulfanylthiophene is CC[C@@H](C)CSc1ccsc1.
What is the InChIKey of 3-[(2R)-2-methylbutyl]sulfanylthiophene?
The InChIKey is AHJBMZZJXNJWHC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14S2/c1-3-8(2)6-11-9-4-5-10-7-9/h4-5,7-8H,3,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(2R)-2-methylbutyl]sulfanylthiophene?
3-[(2R)-2-methylbutyl]sulfanylthiophene has a molecular weight of 186.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylbutyl]sulfanylthiophene is sourced from PubChem (CID 125451197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).