Registration Dossier
Registration Dossier
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EC number: 257-889-5 | CAS number: 52378-40-2
Reference substances
- IUPAC name:
- Methyl N-cyano-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioate
Inventory
- EC number:
- 257-889-5
- EC name:
- 1-cyano-2-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]isothiourea
- CAS number:
- 52378-40-2
- CAS number:
- 52378-40-2
Synonyms
- Names:
- 1-cyano-2-methyl-3-[2-[[(5-methyl-1h-imidazol-4-yl)methyl]thio]ethyl]isothiourea
- CIMETIDINA INTERMEDIATE
- Identifier:
- IUPAC name
- methyl N-cyano-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)imidothiocarbamate
- Identifier:
- other: SMILES notation
- CS\C(=N/CCSCc1nc[nH]c1C)\NC#N
- Identifier:
- other: InChl
- InChI=1/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)
Molecular and structural information
- Molecular formula:
- C10H15N5S2
- Molecular weight:
- ca. 269.4
- SMILES notation:
- N#CNC(/SC)=N/CCSCc1ncnc1C
- InChl:
- 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)
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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