Completing data — usually done within a minute
Basic information
- CAS
72545-68-7- Standard SMILES
CNC(=O)NCCS- InChIKey
GZFMPEKGONDQFE-UHFFFAOYSA-N- Molecular formula
- C4H10N2OS
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.05138394
Names & identifiers
- Preferred name
- Urea, N-(2-mercaptoethyl)-N'-methyl-
- IUPAC
- 1-methyl-3-(2-sulfanylethyl)urea
Names & synonyms
72545-68-7Urea, N-(2-mercaptoethyl)-N'-methyl-DTXSID00336457RefChem:387997DTXCID50287546N-[2-mercaptoethyl]-N'-methylureaN-(2-Thioethyl) N'-methyl ureaSCHEMBL6289555N-Methyl-N'-(2-sulfanylethyl)ureaAKOS006356713N-Methyl-N'-(2-sulfanylethyl)urea #
Database identifiers
- CAS
72545-68-7- PubChem CID
- 533907
- DTXSID
DTXSID00336457
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.4
Related reactions
5 records
Compound notes
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