Basic information
- CAS
38275-42-2- Standard SMILES
CSc1ncc(Cl)cn1- InChIKey
YYQOYLZOMFNKKG-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2S
- Average molar mass
- 160.63 g/mol
- Monoisotopic mass
- 159.986197
Names & identifiers
- Preferred name
- 5-Chloro-2-(methylthio)pyrimidine
- IUPAC
- 5-chloro-2-methylsulfanylpyrimidine
- English name
- 2-Methylsulfanyl-5-chloropyrimidine
- Molecular formula
- C5H5ClN2S
- Molecular weight
- 160.62
Names & synonyms
5-Chloro-2-(methylthio)pyrimidine38275-42-2DTXSID70406116RefChem:102298DTXCID50356968623-612-55-chloro-2-(methylsulfanyl)pyrimidine2-METHYLSULFANYL-5-CHLOROPYRIMIDINE5-chloro-2-methylsulfanylpyrimidineMFCD004897735-chloro-2-methylthiopyrimidine2-Methylthio-5-chloropyrimidine
Show more names
Pyrimidine,5-chloro-2-(methylthio)-2-METHYLSULFANYL-5-CHLOROPYRIMIDINE ISO 9001：2015 REACH
5-CHLORO-2-METHYLSULFANYL-PYRIMIDINESCHEMBL1645145SCHEMBL29860662-Methylthio-5-chlor-pyrimidinYYQOYLZOMFNKKG-UHFFFAOYSA-NSBB039316XH1319AKOS000267745
Database identifiers
- CAS
38275-42-2- PubChem CID
- 4737063
- DTXSID
DTXSID70406116- EC Number
- 623-612-5
- Nikkaji
- J1.894.834F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Melting point
- 59 · 59-64°C
- Boiling point
- 257.2 · 257.2±13.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- powder
- pka
- -0.56 · -0.56±0.22(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
- InChIKey
- YYQOYLZOMFNKKG-UHFFFAOYSA-N
- SMILES
- CSc1ncc(Cl)cn1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 1759 8 / PGII
- hs_code
- 2933599590
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
Chemistry & industry
Suppliers40 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
常州稀亚生物科技有限公司13775267187
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
Related reactions
9 records
Compound notes
Loading…