2-(3-methylbutylsulfanyl)thiophene

C9H14S2 — CID 539140

IUPAC2-(3-methylbutylsulfanyl)thiophene
SMILESCC(C)CCSc1cccs1
InChIInChI=1S/C9H14S2/c1-8(2)5-7-11-9-4-3-6-10-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyLHWBUEZKWVQPGW-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.89
Rot. Bonds4

About 2-(3-methylbutylsulfanyl)thiophene

2-(3-methylbutylsulfanyl)thiophene (PubChem CID 539140) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)thiophene
PubChem CID539140
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name2-(3-methylbutylsulfanyl)thiophene
SMILESCC(C)CCSc1cccs1
InChIInChI=1S/C9H14S2/c1-8(2)5-7-11-9-4-3-6-10-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyLHWBUEZKWVQPGW-UHFFFAOYSA-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

Thiophene
CID 8030
3-Methylthiophene
CID 12024
2-Thiophenethiol
CID 522674
3-(Methylthio)methylthiophene
CID 20158044
3-Thiophenethiol
CID 82202
3-(Methylthio)thiophene
CID 519806
2-(Methylthio)thiophene
CID 79844
2-(Tri-n-butylstannyl)thiophene
CID 2779373
2-(Methyldithio)Thiophene
CID 45272211
(Thiophen-3-yl)methanethiol
CID 12408875
3-Methyl-2-(tributylstannyl)thiophene
CID 15211846
Thiophene-d4
CID 137290

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanyl)thiophene?
The IUPAC name of 2-(3-methylbutylsulfanyl)thiophene (CID 539140) is 2-(3-methylbutylsulfanyl)thiophene.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)thiophene?
The canonical SMILES for 2-(3-methylbutylsulfanyl)thiophene is CC(C)CCSc1cccs1.
What is the InChIKey of 2-(3-methylbutylsulfanyl)thiophene?
The InChIKey is LHWBUEZKWVQPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S2/c1-8(2)5-7-11-9-4-3-6-10-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 2-(3-methylbutylsulfanyl)thiophene?
2-(3-methylbutylsulfanyl)thiophene 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 2-(3-methylbutylsulfanyl)thiophene is sourced from PubChem (CID 539140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).