Basic information
- CAS
3655-88-7- Standard SMILES
CN1CN(CC(=O)O)CSC1=S- InChIKey
RNEWOGXVMQIGRH-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2S2
- Average molar mass
- 206.3 g/mol
- Monoisotopic mass
- 206.01836991
Names & identifiers
- Preferred name
- Dihydro-5-methyl-6-thioxo-2H-1,3,5-thiadiazine-3(4H)-acetic acid
- IUPAC
- 2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
- English name
- 5-Carboxymethyl-3-methyl-2H-1,3,5-thiadiazine-2-thione
- Molecular formula
- C6H10N2O2S2
- Molecular weight
- 206.29
Names & synonyms
3655-88-74H,6H-1,3,5-Thiadiazineacetic acid, 5-methyl-6-thioxo-DTXSID50190046RefChem:1083591DTXCID60112537Dihydro-5-methyl-6-thioxo-2H-1,3,5-thiadiazine-3(4H)-acetic acid5-Carboxymethyl-3-methyl-2H-1,3,5-thiadiazine-2-thioneThiadiazinthionTERRACURN-Methyl-tetrahydrothiamidinthione acetic acidBRN 1074968AI3-25778
Show more names
D-35205,6-Dihydro-5-methyl-6-thioxo-2H-1,3,5-thiadiazine-3(4H)-acetic acid
D 35205-Methyl-6-thioxotetrahydro-3-thiadiazineacetic acid2H-1,3,5-Thiadiazine-3(4H)-acetic acid, dihydro-5-methyl-6-thioxo-SCHEMBL4591392-(5-methyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid(5-Methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
Database identifiers
- CAS
3655-88-7- PubChem CID
- 19296
- DTXSID
DTXSID50190046- Nikkaji
- J54.393D
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 141 °C · 141°C
- Density
- 1.316 · 1.316 (estimate)
- refractive index
- 1.649 · 1.6490 (estimate)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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