2-[(2S,3S)-3-bromobutan-2-yl]thiophene

C8H11BrS — CID 97044464

IUPAC2-[(2S,3S)-3-bromobutan-2-yl]thiophene
SMILESC[C@H](Br)[C@@H](C)c1cccs1
InChIInChI=1S/C8H11BrS/c1-6(7(2)9)8-4-3-5-10-8/h3-7H,1-2H3/t6-,7+/m1/s1
InChIKeyPWZPZAQAXNOCPR-RQJHMYQMSA-N
MW219.15 g/mol
LogP3.63
Rot. Bonds2

About 2-[(2S,3S)-3-bromobutan-2-yl]thiophene

2-[(2S,3S)-3-bromobutan-2-yl]thiophene (PubChem CID 97044464) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-[(2S,3S)-3-bromobutan-2-yl]thiophene.

Molecular Properties

Compound Name2-[(2S,3S)-3-bromobutan-2-yl]thiophene
PubChem CID97044464
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name2-[(2S,3S)-3-bromobutan-2-yl]thiophene
SMILESC[C@H](Br)[C@@H](C)c1cccs1
InChIInChI=1S/C8H11BrS/c1-6(7(2)9)8-4-3-5-10-8/h3-7H,1-2H3/t6-,7+/m1/s1
InChIKeyPWZPZAQAXNOCPR-RQJHMYQMSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
2-propan-2-ylthiophene
CID 178128598
3-methyl-4-thiophen-2-ylpentan-1-amine
CID 83934757
2-[1-(1,2-dithiophen-2-ylethyl)-3,4-dithiophen-2-ylpentyl]thiophene
CID 175177834
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
1-thiophen-2-ylethylhydrazine
CID 18071025
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-bromobutan-2-yl]thiophene?
The IUPAC name of 2-[(2S,3S)-3-bromobutan-2-yl]thiophene (CID 97044464) is 2-[(2S,3S)-3-bromobutan-2-yl]thiophene.
What is the SMILES notation for 2-[(2S,3S)-3-bromobutan-2-yl]thiophene?
The canonical SMILES for 2-[(2S,3S)-3-bromobutan-2-yl]thiophene is C[C@H](Br)[C@@H](C)c1cccs1.
What is the InChIKey of 2-[(2S,3S)-3-bromobutan-2-yl]thiophene?
The InChIKey is PWZPZAQAXNOCPR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H11BrS/c1-6(7(2)9)8-4-3-5-10-8/h3-7H,1-2H3/t6-,7+/m1/s1.
What are the key properties of 2-[(2S,3S)-3-bromobutan-2-yl]thiophene?
2-[(2S,3S)-3-bromobutan-2-yl]thiophene has a molecular weight of 219.15 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-bromobutan-2-yl]thiophene is sourced from PubChem (CID 97044464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).