Cas no 102185-16-0 (ACETYLTHIOCHOLINE PERCHLORATE)

ACETYLTHIOCHOLINE PERCHLORATE structure
ACETYLTHIOCHOLINE PERCHLORATE structure
Product Name:ACETYLTHIOCHOLINE PERCHLORATE
CAS No:102185-16-0
MF:C7H16ClNO5S
MW:261.723640441895
CID:138878
PubChem ID:23171427
Update Time:2025-04-19

ACETYLTHIOCHOLINE PERCHLORATE Chemical and Physical Properties

Names and Identifiers

    • ACETYLTHIOCHOLINE PERCHLORATE
    • S-ACETYLTHIOCHOLINE PERCHLORATE
    • S-Acetylthiocholine perchl
    • 102185-16-0
    • AKOS015914508
    • DTXSID60233195
    • (2-Acetylthio)ethyltrimethylammonium perchlorate
    • EINECS 282-585-4
    • 84255-37-8
    • 2-acetylsulfanylethyl(trimethyl)azanium;perchlorate
    • SCHEMBL9097185
    • Inchi: 1S/C7H16NOS.ClO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1
    • InChI Key: OWSZREYOARPHKC-UHFFFAOYSA-N
    • SMILES: [Cl+3]([O-])([O-])([O-])[O-].S(C(C)=O)CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 261.04400
  • Monoisotopic Mass: 261.0437715g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 213
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 117?2

Experimental Properties

  • PSA: 116.64000
  • LogP: 1.18660

ACETYLTHIOCHOLINE PERCHLORATE Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Safety Term:26-36
  • Risk Phrases:R36/37/38
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