5-bromo-3-chloro-2-methylsulfanylthiophene

C5H4BrClS2 — CID 123792608

IUPAC5-bromo-3-chloro-2-methylsulfanylthiophene
SMILESCSc1sc(Br)cc1Cl
InChIInChI=1S/C5H4BrClS2/c1-8-5-3(7)2-4(6)9-5/h2H,1H3
InChIKeyHPFALWLNAMTMIZ-UHFFFAOYSA-N
MW243.58 g/mol
LogP3.89
Rot. Bonds1

About 5-bromo-3-chloro-2-methylsulfanylthiophene

5-bromo-3-chloro-2-methylsulfanylthiophene (PubChem CID 123792608) has the molecular formula C5H4BrClS2 and a molecular weight of 243.58 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-methylsulfanylthiophene.

Molecular Properties

Compound Name5-bromo-3-chloro-2-methylsulfanylthiophene
PubChem CID123792608
Molecular FormulaC5H4BrClS2
Molecular Weight243.58 g/mol
Exact Mass241.86
IUPAC Name5-bromo-3-chloro-2-methylsulfanylthiophene
SMILESCSc1sc(Br)cc1Cl
InChIInChI=1S/C5H4BrClS2/c1-8-5-3(7)2-4(6)9-5/h2H,1H3
InChIKeyHPFALWLNAMTMIZ-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-3-methylsulfanylthiophene
CID 13415222
4-bromo-5-chloro-2-methylsulfanyl-1-benzothiophene
CID 131145934
N-[(5-bromo-3-chlorothiophen-2-yl)methyl]acetamide
CID 163431726
2,4-dibromo-6-methylsulfanyl-1-benzothiophene
CID 131191577
2-bromo-5-(chloromethyl)-7-methylsulfanyl-1-benzothiophene
CID 130985155
6-(bromomethyl)-3-chloro-2-methylsulfanyl-1-benzothiophene
CID 130884787
2,5-dibromo-3-ethylthiophene
CID 14896125
3-bromo-4-[4-bromo-2,5-bis(methylsulfanyl)thiophen-3-yl]sulfanyl-2,5-bis(methylsulfanyl)thiophene
CID 71347481
1,3,5-trichloro-2-methylsulfanylbenzene
CID 86135617
3-chloro-2-methylsulfanyl-1-benzothiophen-6-amine
CID 131080286
4-chloro-7-methylsulfanyl-1-benzothiophene-2-thiol
CID 130956480
6-bromo-4-chloro-3-methylsulfanyl-1-benzothiophene
CID 131002166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-methylsulfanylthiophene?
The IUPAC name of 5-bromo-3-chloro-2-methylsulfanylthiophene (CID 123792608) is 5-bromo-3-chloro-2-methylsulfanylthiophene.
What is the SMILES notation for 5-bromo-3-chloro-2-methylsulfanylthiophene?
The canonical SMILES for 5-bromo-3-chloro-2-methylsulfanylthiophene is CSc1sc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-methylsulfanylthiophene?
The InChIKey is HPFALWLNAMTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClS2/c1-8-5-3(7)2-4(6)9-5/h2H,1H3.
What are the key properties of 5-bromo-3-chloro-2-methylsulfanylthiophene?
5-bromo-3-chloro-2-methylsulfanylthiophene has a molecular weight of 243.58 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-methylsulfanylthiophene is sourced from PubChem (CID 123792608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).