2,4(1H,3H)-Pyrimidinedithione, 6-methyl-
Basic information
- CAS
6308-38-9- Standard SMILES
Cc1cc(=S)[nH]c(=S)[nH]1- InChIKey
CQOAJLIZQSKDFC-UHFFFAOYSA-N- Molecular formula
- C5H6N2S2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 157.99724055
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedithione, 6-methyl-
- IUPAC
- 6-methyl-1H-pyrimidine-2,4-dithione
- English name
- 6-methyl-1H,3H-pyrimidine-2,4-dithione
- Molecular formula
- C5H6N2S2
- Molecular weight
- 158.24
Names & synonyms
2,4(1H,3H)-Pyrimidinedithione, 6-methyl-2,4-dimercapto-6-methylpyrimidine6-Methyl-1H,3H-pyrimidine-2,4-dithioneEINECS 228-624-0NSC 42028DTXSID8064220RefChem:442682DTXCID5043639228-624-06308-38-96-methylpyrimidine-2,4(1H,3H)-dithione6-methyl-1H-pyrimidine-2,4-dithione
Show more names
6-Methyl-2,4-dithiouracil
6-methylpyrimidine-2,4-dithiolMLS000737051SMR0003940072,4 (1H,3H)-Pyrimidinedithione, 6-methyl-NSC42028cid_816944SCHEMBL5697745CHEMBL1420427
Database identifiers
- CAS
6308-38-9- PubChem CID
- 816944
- DTXSID
DTXSID8064220- ChEMBL
CHEMBL1420427- EC Number
- 228-624-0
- Nikkaji
- J206.891E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 240 °C · 240 °C (decomp)
- Boiling point
- 236 · 236.0±23.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 6.58 · 6.58±0.40(Predicted)
- EPA Substance Registry System
- 2 · 2,4(1H,3H)-Pyrimidinedithione, 6-methyl- (6308-38-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4(1H,3H)-Pyrimidinedithione, 6-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…