Basic information
- CAS
5351-51-9- Standard SMILES
Cc1[nH]c(=S)sc1C- InChIKey
KKHBRTFQIYIHEI-UHFFFAOYSA-N- Molecular formula
- C5H7NS2
- Average molar mass
- 145.3 g/mol
- Monoisotopic mass
- 145.00199157
Names & identifiers
- Preferred name
- 4,5-Dimethylthiazole-2(3H)-thione
- IUPAC
- 4,5-dimethyl-3H-1,3-thiazole-2-thione
- English name
- 4,5-Dimethyl-thiazole-2-thiol
- Molecular formula
- C5H7NS2
- Molecular weight
- 145.25
Names & synonyms
5351-51-9118090-07-64,5-Dimethylthiazole-2(3H)-thione4,5-Dimethyl-2(3H)-thiazolethione2(3H)-Thiazolethione, 4,5-dimethyl-ELP9XZL35MEINECS 226-327-04,5-DIMETHYL-2-THIAZOLETHIOL2-Mercapto-4,5-dimethylthiazoleNSC-6814-[5-Dimethyl-2-thiazolethiolDTXSID50201722
Show more names
4,5-DiMethylthiazol-2-thiolDimethyl-1,3-thiazole-2-thiol4,5-Dimethyl-thiazole-2-thiol4,5-DIMETHYL-2-MERCAPTOTHIAZOLE4,5-Dimethyl-1,3-thiazole-2-thiol
NSC 6814-(5-Dimethyl-2-thiazolethiolRefChem:96546DTXCID80124213DTXSID20873819226-327-0KKHBRTFQIYIHEI-UHFFFAOYSA-N4,5-Dimethylthiazole-2-thiol
Database identifiers
- CAS
5351-51-9- PubChem CID
- 817026
- DTXSID
DTXSID50201722- UNII
- ELP9XZL35M
- EC Number
- 226-327-0
- Nikkaji
- J217.918K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Boiling point
- 215 ℃ · 215℃
- Density
- 1.28 · 1.28
- Flash point
- 84 ℃ · 84℃
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- Solid
- pka
- 8.68 · 8.68±0.60(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 9 XZL35M · ELP9XZL35M
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers33 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
科瑞希（天津）新材料技术有限公司022-83945173 18622315263 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
2 records
Compound notes
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