2-bromo-4-(methylsulfanylmethyl)thiophene

C6H7BrS2 — CID 130987828

IUPAC2-bromo-4-(methylsulfanylmethyl)thiophene
SMILESCSCc1csc(Br)c1
InChIInChI=1S/C6H7BrS2/c1-8-3-5-2-6(7)9-4-5/h2,4H,3H2,1H3
InChIKeyPPITVFYWWCBQND-UHFFFAOYSA-N
MW223.16 g/mol
LogP3.37
Rot. Bonds2

About 2-bromo-4-(methylsulfanylmethyl)thiophene

2-bromo-4-(methylsulfanylmethyl)thiophene (PubChem CID 130987828) has the molecular formula C6H7BrS2 and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-bromo-4-(methylsulfanylmethyl)thiophene.

Molecular Properties

Compound Name2-bromo-4-(methylsulfanylmethyl)thiophene
PubChem CID130987828
Molecular FormulaC6H7BrS2
Molecular Weight223.16 g/mol
Exact Mass221.92
IUPAC Name2-bromo-4-(methylsulfanylmethyl)thiophene
SMILESCSCc1csc(Br)c1
InChIInChI=1S/C6H7BrS2/c1-8-3-5-2-6(7)9-4-5/h2,4H,3H2,1H3
InChIKeyPPITVFYWWCBQND-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromothiophen-3-yl)methylsulfanyl]butan-1-amine
CID 66231437
(5-bromothiophen-3-yl)methanamine
CID 23533436
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
5-[(5-bromothiophen-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47059809
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
CID 96875895
2-(5-bromothiophen-3-yl)acetaldehyde
CID 87296184
4-[(5-bromothiophen-3-yl)methylsulfanyl]benzonitrile
CID 78902887
3-bromo-4-[(5-bromothiophen-3-yl)methylsulfanyl]aniline
CID 82841831
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
(2S)-2-amino-3-[(5-bromothiophen-3-yl)methylsulfanyl]propanoic acid
CID 107773669
4-[(5-bromothiophen-3-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79139567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(methylsulfanylmethyl)thiophene?
The IUPAC name of 2-bromo-4-(methylsulfanylmethyl)thiophene (CID 130987828) is 2-bromo-4-(methylsulfanylmethyl)thiophene.
What is the SMILES notation for 2-bromo-4-(methylsulfanylmethyl)thiophene?
The canonical SMILES for 2-bromo-4-(methylsulfanylmethyl)thiophene is CSCc1csc(Br)c1.
What is the InChIKey of 2-bromo-4-(methylsulfanylmethyl)thiophene?
The InChIKey is PPITVFYWWCBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS2/c1-8-3-5-2-6(7)9-4-5/h2,4H,3H2,1H3.
What are the key properties of 2-bromo-4-(methylsulfanylmethyl)thiophene?
2-bromo-4-(methylsulfanylmethyl)thiophene has a molecular weight of 223.16 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(methylsulfanylmethyl)thiophene is sourced from PubChem (CID 130987828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).