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Methane,(chloromethylthio)-(methylthio)-
ScientificNameLabel
Methane,(chloromethylthio)-(methylthio)-
PHCD compound ID :
4579
Chemical Names :
Methane,(chloromethylthio)-(methylthio)-
Molecular Formula :
C3H7Cl1S2
Molecular Weight :
141.96777
More Details :
Names & Synonyms:
chloromethylsulfanyl(methylsulfanyl)methane , (chloromethylthio)-(methylthio)methane
Smiles:
CSCSCCl
InChi :
InChI=1S/C3H7ClS2/c1-5-3-6-2-4/h2-3H2,1H3
InChi Key :
InChIKey=MYMUCCFKCZDEMM-UHFFFAOYSA-N
PubChem ID :
548348
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.744251
Hydrogen bond donor count :
0
Electric dipole moment :
4.501
XLogP :
2.266
VDW volume :
112.673528
Molecular weight :
141.96777
HOMO-LUMO gap :
8.290000
Herb list :
Wild garlic - Allium hirtifolium - موسیر
Refrences & Litretures:
703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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