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103011-38-7 molecular structure
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3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

ChemBase ID: 92508
Molecular Formular: C7H7ClO4S2
Molecular Mass: 254.71108
Monoisotopic Mass: 253.94742838
SMILES and InChIs

SMILES:
O1C(c2c(scc2)S(=O)(=O)Cl)OCC1
Canonical SMILES:
ClS(=O)(=O)c1sccc1C1OCCO1
InChI:
InChI=1S/C7H7ClO4S2/c8-14(9,10)7-5(1-4-13-7)6-11-2-3-12-6/h1,4,6H,2-3H2
InChIKey:
RRTOURREASJQSR-UHFFFAOYSA-N

Cite this record

CBID:92508 http://www.chembase.cn/molecule-92508.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
IUPAC Traditional name
3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
Synonyms
3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
3-(1,3-Dioxolan-2-yl)thiophene-2-sulphonyl chloride 97%
CAS Number
103011-38-7
MDL Number
MFCD08271969
PubChem SID
162079206
PubChem CID
10538915

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10538915 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8491411  LogD (pH = 7.4) 1.8491411 
Log P 1.8491411  Molar Refractivity 51.8971 cm3
Polarizability 21.493876 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
93-94°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Keep Cold/Store under Argon 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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