Basic information
- CAS
95-30-7- Standard SMILES
CCN(CC)C(=S)Sc1nc2ccccc2s1- InChIKey
LFMQNMXVVXHZCC-UHFFFAOYSA-N- Molecular formula
- C12H14N2S3
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.03191198
Names & identifiers
- Preferred name
- 2-Benzothiazolyl diethyldithiocarbamate
- IUPAC
- 1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate
- English name
- Diethyldithiocarbamic acid 2-benzothiazolyl ester
- Molecular formula
- C12H14N2S3
- Molecular weight
- 282.45
Names & synonyms
95-30-72-Benzothiazolyl diethyldithiocarbamateEthylacBenzothiazol-2-yl diethyldithiocarbamateACCELERATOR EN,N-Diethylthiocarbamoyl 2-benzothiazolyl sulfide2-Benzothiazyl-N,N-diethylthiocarbamylsulfide2-Benzothiazyl N,N-diethylthiocarbamoyl sulfideNSC 40352-(N,N-Diethyldithiocarbamyl)benzoathinzole2-((N,N-Diethyldithio)carbamyl)benzoathiazoleN,N-Diethylthiocarbamyl-2-benzothiazolyl sulphide
Show more names
N. N-diethyldithioaminobenzothiazole2-Benzothiazolyl Diethyldithiocarbamate >Benzo[d]thiazol-2-yl diethylcarbamodithioate1,3-benzothiazol-2-yl diethyldithiocarbamate2-BENZOTHIAZYL-N,N-DIETHYLTHIOCARBAMYL SULFIDE
EINECS 202-408-6BRN 0220149Diethyldithiocarbamic acid, 2-benzothiazolyl ester2-Benzothiazolethiol, diethyldithiocarbamate (ester)NSC-4035Carbamodithioic acid, N,N-diethyl-, 2-benzothiazolyl esterNOCCELER-642-Benzothiazolyl-N,N-diethylthiocarbamyl sulfide
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 391.3 · 391.3±25.0 °C(Predicted)
- Density
- 1.3529 · 1.3529 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 0.49 · 0.49±0.50(Predicted)
- form
- powder to crystal
- color
- White to Yellow to Green
- Indirect Additives used in Food Contact Substances
- 2 · 2-BENZOTHIAZOLYL DIETHYLDITHIOCARBAMATE
- FDA 21 CFR
- 177.26 · 177.2600
- FDA UNII
- 19 V77729YZ · 19V77729YZ
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- EZ4950000
- hs_code
- 2934.20.8000
- Toxicity
- LD50 orl-rat: 6 g/kg IPSTB3 3,93,76
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamodithioic acid, N,N-diethyl-, 2-benzothiazolyl ester: INACTIVE
Applications
UsesRubber accelerator.
Suppliers66 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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