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1227608-07-2 molecular structure
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3,4-dimethylthiophene-2-sulfonyl chloride

ChemBase ID: 287700
Molecular Formular: C6H7ClO2S2
Molecular Mass: 210.70158
Monoisotopic Mass: 209.95759914
SMILES and InChIs

SMILES:
O=S(=O)(c1c(C)c(C)cs1)Cl
Canonical SMILES:
Cc1csc(c1C)S(=O)(=O)Cl
InChI:
InChI=1S/C6H7ClO2S2/c1-4-3-10-6(5(4)2)11(7,8)9/h3H,1-2H3
InChIKey:
CLMZIQOQEGJERQ-UHFFFAOYSA-N

Cite this record

CBID:287700 http://www.chembase.cn/molecule-287700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dimethylthiophene-2-sulfonyl chloride
IUPAC Traditional name
3,4-dimethylthiophene-2-sulfonyl chloride
Synonyms
3,4-Dimethylthiophene-2-sulfonyl chloride
CAS Number
1227608-07-2
PubChem SID
180673231
PubChem CID
20801659

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD160213 Please log in.
Data Source Data ID
PubChem 20801659 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8928297  LogD (pH = 7.4) 2.8928297 
Log P 2.8928297  Molar Refractivity 46.6003 cm3
Polarizability 18.6961 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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