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868755-57-1 molecular structure
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diphenyl-1,3-thiazole-5-sulfonyl chloride

ChemBase ID: 92930
Molecular Formular: C15H10ClNO2S2
Molecular Mass: 335.8284
Monoisotopic Mass: 334.98414825
SMILES and InChIs

SMILES:
n1c(c2ccccc2)sc(c1c1ccccc1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1sc(nc1c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H10ClNO2S2/c16-21(18,19)15-13(11-7-3-1-4-8-11)17-14(20-15)12-9-5-2-6-10-12/h1-10H
InChIKey:
AWNJOBYLGNWNCQ-UHFFFAOYSA-N

Cite this record

CBID:92930 http://www.chembase.cn/molecule-92930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenyl-1,3-thiazole-5-sulfonyl chloride
IUPAC Traditional name
diphenyl-1,3-thiazole-5-sulfonyl chloride
Synonyms
2,4-diphenyl-1,3-thiazole-5-sulfonyl chloride
5-(Chlorosulphonyl)-2,4-diphenyl-1,3-thiazole
2,4-Diphenyl-1,3-thiazole-5-sulphonyl chloride 97%
CAS Number
868755-57-1
MDL Number
MFCD08271911
PubChem SID
162079628
PubChem CID
18525757

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525757 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8021836  LogD (pH = 7.4) 4.8021836 
Log P 4.8021836  Molar Refractivity 94.4863 cm3
Polarizability 35.382298 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
172.5-173.5°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon/Keep Cold expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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