Basic information
- CAS
7643-08-5- Standard SMILES
CSc1ccc2c(c1)Nc1ccccc1S2- InChIKey
OBVKBOLDEFIQDP-UHFFFAOYSA-N- Molecular formula
- C13H11NS2
- Average molar mass
- 245.4 g/mol
- Monoisotopic mass
- 245.0332917
Names & identifiers
- Preferred name
- 10H-Phenothiazine, 2-(methylthio)-
- IUPAC
- 2-methylsulfanyl-10H-phenothiazine
- English name
- 2-Methylthiophenothiazine
- Molecular formula
- C13H11NS2
- Molecular weight
- 245.36
Names & synonyms
2-Methylthiophenothiazine7643-08-52-(Methylthio)-10H-phenothiazine10H-Phenothiazine, 2-(methylthio)-DTXSID0064759EINECS 231-581-0RefChem:77676DTXCID4047882231-581-0OBVKBOLDEFIQDP-UHFFFAOYSA-N2-(methylthio)phenothiazine2-Methylsulfanyl-10H-phenothiazine
Show more names
thiophenothiazine3-(Methylthio)phenothiazine2-Methylthiophenothiazine>2-methylthieno[2,3-e]thiazine2-(methylthio)-10h-phenothiazin
2-Methyl Thiophenothiazine2-(Methylsulfanyl)-10H-phenothiazineMFCD007999742-Methylmercapto PhenothiazineC13H11NS2orb3180614SCHEMBL11651982-Methylthiophenothiazine, 97%
Database identifiers
- CAS
7643-08-5- PubChem CID
- 82096
- DTXSID
DTXSID0064759- ChEMBL
CHEMBL1354612- EC Number
- 231-581-0、690-908-9
- Nikkaji
- J307.899J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 140 · 140-144 °C (lit.)
- Boiling point
- 190 · 190-200 °C(Press: 0.05 Torr)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -1.51 · -1.51±0.20(Predicted)
- color
- Off-White to LIght Grey
- InChI
- 1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
- InChIKey
- OBVKBOLDEFIQDP-UHFFFAOYSA-N
- SMILES
- CSc1ccc2Sc3ccccc3Nc2c1
- CAS DataBase Reference
- 7643 · 7643-08-5(CAS DataBase Reference)
- EPA Substance Registry System
- 10 H-Phenothiazine, · 10H-Phenothiazine, 2-(methylthio)- (7643-08-5)
- UNSPSC Code
- 12352303 · 12352303
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
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationREACH registered substance: 2-(methylthio)-10H-phenothiazine (EC: 231-581-0)
Hazard Classes and CategoriesAcute Tox. 4 (71.4%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29343000
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Blood
- Hazard statements
- H302-H317-H373-H410
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information10H-Phenothiazine, 2-(methylthio)-: INACTIVE
Applications
UsesPhenothiazine derivative.
Upstream & downstream products
Downstream products
Suppliers92 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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