(2R)-5-bromo-2-methyl-2,3-dihydrothiophene

C5H7BrS — CID 148727761

IUPAC(2R)-5-bromo-2-methyl-2,3-dihydrothiophene
SMILESC[C@@H]1CC=C(Br)S1
InChIInChI=1S/C5H7BrS/c1-4-2-3-5(6)7-4/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyOAIOOYDCWAKQFX-SCSAIBSYSA-N
MW179.08 g/mol
LogP2.75
Rot. Bonds

About (2R)-5-bromo-2-methyl-2,3-dihydrothiophene

(2R)-5-bromo-2-methyl-2,3-dihydrothiophene (PubChem CID 148727761) has the molecular formula C5H7BrS and a molecular weight of 179.08 g/mol. Its IUPAC name is (2R)-5-bromo-2-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name(2R)-5-bromo-2-methyl-2,3-dihydrothiophene
PubChem CID148727761
Molecular FormulaC5H7BrS
Molecular Weight179.08 g/mol
Exact Mass177.95
IUPAC Name(2R)-5-bromo-2-methyl-2,3-dihydrothiophene
SMILESC[C@@H]1CC=C(Br)S1
InChIInChI=1S/C5H7BrS/c1-4-2-3-5(6)7-4/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyOAIOOYDCWAKQFX-SCSAIBSYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-methyl-2,3-dihydrothiophene
CID 88984549
2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene
CID 147683600
1-(2-methyl-2,3-dihydrothiophen-5-yl)piperidine
CID 89399017
5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene
CID 71022659
6-bromo-3-methyl-1,2,3,4-tetrahydropyridine
CID 90190086
2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene
CID 170259290
tert-butyl N-[(2-methyl-2,3-dihydrothiophene-5-carbonyl)amino]carbamate
CID 167190514
3-bromo-6-methylcyclohex-3-en-1-one
CID 175967122
(3S,4R)-3-(5-bromo-2,3-dihydrothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 67592141
2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline
CID 71133448
(3R,6R)-3-(2-bromophenyl)-6-methylthian-3-ol
CID 125427015
(4S)-4-methylcyclobuten-1-amine
CID 164996658

Frequently Asked Questions

What is the IUPAC name of (2R)-5-bromo-2-methyl-2,3-dihydrothiophene?
The IUPAC name of (2R)-5-bromo-2-methyl-2,3-dihydrothiophene (CID 148727761) is (2R)-5-bromo-2-methyl-2,3-dihydrothiophene.
What is the SMILES notation for (2R)-5-bromo-2-methyl-2,3-dihydrothiophene?
The canonical SMILES for (2R)-5-bromo-2-methyl-2,3-dihydrothiophene is C[C@@H]1CC=C(Br)S1.
What is the InChIKey of (2R)-5-bromo-2-methyl-2,3-dihydrothiophene?
The InChIKey is OAIOOYDCWAKQFX-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H7BrS/c1-4-2-3-5(6)7-4/h3-4H,2H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-5-bromo-2-methyl-2,3-dihydrothiophene?
(2R)-5-bromo-2-methyl-2,3-dihydrothiophene has a molecular weight of 179.08 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-bromo-2-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 148727761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).