Basic information
- CAS
350-12-9- Standard SMILES
S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1- InChIKey
QFVAWNPSRQWSDU-UHFFFAOYSA-N- Molecular formula
- C17H18N2S2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.09114093
Overview
Dibenzthion is an aromatic amine.
Names & identifiers
- Preferred name
- Dibenzthione
- IUPAC
- 3,5-dibenzyl-1,3,5-thiadiazinane-2-thione
- English name
- sulbentine
- Molecular formula
- C17H18N2S2
- Molecular weight
- 314.47
Names & synonyms
Dibenzthione3,5-Dibenzylperhydro-1,3,5-thiadiazine-2-thioneRefChem:186462Sulbentine350-12-9DibenzthionAfunginDibenzothione3,5-dibenzyl-1,3,5-thiadiazinane-2-thioneFungiplexNoticinRefungine
Show more names
D-47Sulbentine, 10 mM in DMSO3,5-bis(benzyl)-1,3,5-thiadiazinane-2-thione3,5-bis(phenylmethyl)-1,3,5-thiadiazinane-2-thione3,5-Dibenzyltetrahydro-2H-1,3,5-thiadiazine-2-thione3,5-DIBENZYL-3,4,5,6-TETRAHYDRO-2H-1,3,5-THIADIAZINE-2-THIONE
Carbothialdin D47SulbentinSulbentinaMecalSulbentine [INN]D 47DTXSID70462572H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(phenylmethyl)-
Database identifiers
- CAS
350-12-9- PubChem CID
- 67686
- DTXSID
DTXSID7046257- ChEMBL
CHEMBL151803- ChEBI
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
LogP4.9
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 101 · 101-102°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO: 125 mg/mL (397.49 mM)
- form
- Solid
- color
- White to light yellow
- FDA UNII
- 0 NR12WK9J · D0NR12WK9J
- ATC code
- 1 AE09 · D01AE09
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
QD - Dermatologicals
Applications
Usesantifungal
Suppliers19 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Musechem+1-800-259-7612 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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