Basic information
- CAS
62604-08-4- Standard SMILES
CSC(=S)N1CCOCC1- InChIKey
VJOUSDFNBHXWJA-UHFFFAOYSA-N- Molecular formula
- C6H11NOS2
- Average molar mass
- 177.3 g/mol
- Monoisotopic mass
- 177.02820597
Names & identifiers
- Preferred name
- Methyl morpholine-4-carbodithioate
- IUPAC
- methyl morpholine-4-carbodithioate
- English name
- Methyl morpholine-4-carbodithioate
- Molecular formula
- C6H11NOS2
- Molecular weight
- 177.29
Names & synonyms
62604-08-4methyl morpholine-4-carbodithioateDTXSID10407728RefChem:356699DTXCID70358580629-667-1Methyl 4-morpholinecarbodithioateCHEMBL584158MFCD002772564-Morpholinecarbodithioic acid, methyl ester4-morpholinecarbodithioic acid methyl esterSCHEMBL1638507
Show more names
VJOUSDFNBHXWJA-UHFFFAOYSA-NBDBM50414931SBB089323AKOS001593408SS-2948methylthiomorpholin-4-ylmethane-1-thioneDB-295491CS-0366737
Database identifiers
- CAS
62604-08-4- PubChem CID
- 5043631
- DTXSID
DTXSID10407728- ChEMBL
CHEMBL584158- EC Number
- 629-667-1
- Nikkaji
- J315.970A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 82.5 · 82.5-83.5 °C
- Boiling point
- 269.5 · 269.5±50.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 0.5 · 0.50±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers8 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
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