4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine

C8H9BrClNO2S3 — CID 2741062

IUPAC4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCSCC1
InChIInChI=1S/C8H9BrClNO2S3/c9-6-5-7(15-8(6)10)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyLSMITDFQTPOVLR-UHFFFAOYSA-N
MW362.72 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine

4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine (PubChem CID 2741062) has the molecular formula C8H9BrClNO2S3 and a molecular weight of 362.72 g/mol. Its IUPAC name is 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine
PubChem CID2741062
Molecular FormulaC8H9BrClNO2S3
Molecular Weight362.72 g/mol
Exact Mass360.87
IUPAC Name4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCSCC1
InChIInChI=1S/C8H9BrClNO2S3/c9-6-5-7(15-8(6)10)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyLSMITDFQTPOVLR-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine (CID 2741062) is 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine is O=S(=O)(c1cc(Br)c(Cl)s1)N1CCSCC1.
What is the InChIKey of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine?
The InChIKey is LSMITDFQTPOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S3/c9-6-5-7(15-8(6)10)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2.
What are the key properties of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine?
4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine has a molecular weight of 362.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine is sourced from PubChem (CID 2741062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).