2-tert-butylsulfinylthiophene

C8H12OS2 — CID 784928

IUPAC2-tert-butylsulfinylthiophene
SMILESCC(C)(C)S(=O)c1cccs1
InChIInChI=1S/C8H12OS2/c1-8(2,3)11(9)7-5-4-6-10-7/h4-6H,1-3H3
InChIKeyYKDMLEGAOSGYBZ-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.65
Rot. Bonds1

About 2-tert-butylsulfinylthiophene

2-tert-butylsulfinylthiophene (PubChem CID 784928) has the molecular formula C8H12OS2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-tert-butylsulfinylthiophene.

Molecular Properties

Compound Name2-tert-butylsulfinylthiophene
PubChem CID784928
Molecular FormulaC8H12OS2
Molecular Weight188.32 g/mol
Exact Mass188.03
IUPAC Name2-tert-butylsulfinylthiophene
SMILESCC(C)(C)S(=O)c1cccs1
InChIInChI=1S/C8H12OS2/c1-8(2,3)11(9)7-5-4-6-10-7/h4-6H,1-3H3
InChIKeyYKDMLEGAOSGYBZ-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
sodium;hydride;thiophene-2-sulfinic acid
CID 173077557
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile
CID 65262840
3-thiophen-2-ylsulfinylpentan-1-amine
CID 81329352
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
N-thiophen-2-ylsulfinylformamide
CID 142210671
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
CID 97325285

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinylthiophene?
The IUPAC name of 2-tert-butylsulfinylthiophene (CID 784928) is 2-tert-butylsulfinylthiophene.
What is the SMILES notation for 2-tert-butylsulfinylthiophene?
The canonical SMILES for 2-tert-butylsulfinylthiophene is CC(C)(C)S(=O)c1cccs1.
What is the InChIKey of 2-tert-butylsulfinylthiophene?
The InChIKey is YKDMLEGAOSGYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS2/c1-8(2,3)11(9)7-5-4-6-10-7/h4-6H,1-3H3.
What are the key properties of 2-tert-butylsulfinylthiophene?
2-tert-butylsulfinylthiophene has a molecular weight of 188.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinylthiophene is sourced from PubChem (CID 784928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).