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Cyclopropenylium, tris(ethylthio)-, perchlorate 1,2,3-tris(ethylsulfanyl)cyclopropene - trihydroxy-lambda~3~-chlorane oxide (1:1) 53202-77-0
Identification and Related Records
【Name】
1,2,3-tris(ethylsulfanyl)cyclopropene - trihydroxy-lambda~3~-chlorane oxide (1:1)
【Iupac name】
trihydroxy(oxo)-λ5-chlorane; 1,2,3-tris(ethylsulfanyl)cyclopropene
【CAS Registry number】
53202-77-0
【Synonyms】
NSC250954
AC1L8MYY
NSC-250954
53202-77-0
【Molecular Formula】
C9H19ClO4S3 (Products with the same molecular formula)
【Molecular Weight】
322.8928
【Inchi】
InChI=1/C9H16S3.ClH3O4/c1-4-10-7-8(11-5-2)9(7)12-6-3;2-1(3,4)5/h7H,4-6H2,1-3H3;(H3,2,3,4,5)
【Canonical SMILES】
CCSC1C(=C1SCC)SCC.OCl(=O)(O)O
【MOL File】
53202-77-0.mol
Chemical and Physical Properties
【Boiling Point】
327.7°C at 760 mmHg
【Flash Point】
152.5°C
【Computed Properties】
Molecular Weight:322.89276 [g/mol]
Molecular Formula:C9H19ClO4S3
H-Bond Donor:3
H-Bond Acceptor:7
Rotatable Bond Count:6
Exact Mass:322.013399
MonoIsotopic Mass:322.013399
Topological Polar Surface Area:154
Heavy Atom Count:17
Formal Charge:0
Complexity:208
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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