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7365-23-3 molecular structure
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2-chloro-N-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-N-methylacetamide

ChemBase ID: 17344
Molecular Formular: C7H12ClNO3S
Molecular Mass: 225.69308
Monoisotopic Mass: 225.02264193
SMILES and InChIs

SMILES:
C1(CS(=O)(=O)CC1)N(C(=O)CCl)C
Canonical SMILES:
ClCC(=O)N(C1CCS(=O)(=O)C1)C
InChI:
InChI=1S/C7H12ClNO3S/c1-9(7(10)4-8)6-2-3-13(11,12)5-6/h6H,2-5H2,1H3
InChIKey:
HGIYHXMVKRVQSW-UHFFFAOYSA-N

Cite this record

CBID:17344 http://www.chembase.cn/molecule-17344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-N-methylacetamide
2-chloro-N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-methylacetamide
IUPAC Traditional name
2-chloro-N-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-N-methylacetamide
2-chloro-N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-methylacetamide
Synonyms
2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-methyl-acetamide
2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
CAS Number
7365-23-3
MDL Number
MFCD03983034
PubChem SID
160980651
PubChem CID
2772173

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2772173 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.2655088 
LogD (pH = 7.4) -1.2655088  Log P -1.2655088 
Molar Refractivity 49.5635 cm3 Polarizability 20.281305 Å3
Polar Surface Area 54.45 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90 - 92°C expand Show data source
Hydrophobicity(logP)
-1.042 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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