Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate

CAS Registry Number®

52378-40-2

CAS Name

Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate

Molecular Formula

C10H15N5S2

Molecular Mass

269.39

Cite this Page

Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52378-40-2 (retrieved 2024-11-24) (CAS RN: 52378-40-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-150 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H15N5S2/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)

InChIKey

InChIKey=WSUNDBVVUCLXTG-UHFFFAOYSA-N

SMILES

C(SCCN=C(NC#N)SC)C1=C(C)N=CN1

Canonical SMILES

N#CNC(=NCCSCC=1NC=NC1C)SC

Other Names for this Substance

  • Carbamimidothioic acid, N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-, methyl ester
  • Carbamimidothioic acid, N-cyano-N′-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, methyl ester
  • Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate
  • N-Cyano-N′-[2-[(4-methyl-5-imidazolyl)methylthio]ethyl]-S-methylisothiourea
  • N-Cyano-N′-[2-[[(5-methyl-4-imidazolyl)methyl]thio]ethyl]-S-methylisothiourea

CAS INSIGHTSTM
Hourglass and a clock