Basic information
- CAS
2183-66-6- Standard SMILES
CSc1nccc(N)n1- InChIKey
HGGXLEAHOVIYKT-UHFFFAOYSA-N- Molecular formula
- C5H7N3S
- Average molar mass
- 141.2 g/mol
- Monoisotopic mass
- 141.03606822
Names & identifiers
- Preferred name
- 2-(Methylthio)pyrimidin-4-amine
- IUPAC
- 2-methylsulfanylpyrimidin-4-amine
- English name
- 2-(Methylthio)pyrimidin-4-amine
- Molecular formula
- C5H7N3S
- Molecular weight
- 141.2
Names & synonyms
2-(Methylthio)pyrimidin-4-amineDTXSID50293369RefChem:461436DTXCID60244509640-625-12183-66-62-methylsulfanylpyrimidin-4-amine4-Amino-2-methylthiopyrimidine4-Pyrimidinamine, 2-(methylthio)-2-(methylsulfanyl)pyrimidin-4-amine4-Amino-2-(methylthio)pyrimidineMFCD02091098
Show more names
4-Pthio)pyrimidin-4-amineMethylthiopyrimidinamine2-Methylthio-4-aMinopyriMidine
4-AMINO-2-METHYLSULFANYLPYRIMIDINE2-(methylthio)-4-PyrimidinamineYKW9JYW7KRPyrimidine, 4-amino-2-(methylthio)-2-(Methylsulfanyl)-4-pyrimidinamineNSC-88955AKOS006228755CS-W018300
Database identifiers
- CAS
2183-66-6- PubChem CID
- 259225
- DTXSID
DTXSID50293369- UNII
- YKW9JYW7KR
- EC Number
- 640-625-1
- Nikkaji
- J110.590F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.3
Physicochemical properties
- Boiling point
- 312.9 · 312.9±15.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 4.22 · 4.22±0.10(Predicted)
- Appearance
- White to off-white Solid
- Sensitive
- Stench
- InChI
- InChI=1S/C5H7N3S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)
- InChIKey
- HGGXLEAHOVIYKT-UHFFFAOYSA-N
- SMILES
- C1(SC)=NC=CC(N)=N1
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-37/38-41-43
- Safety Statements
- 26 · 26-36/37-39
- WGK Germany
- 3 · 3
- HS Code
- 2933599590 · 2933599590
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 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
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22-37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methylsulfanylpyrimidin-4-amine is used for methoxylation to prepare pentafluorobenzyl derivatives.
Suppliers89 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
苏州腾龙生物医药技术有限公司0731-82251112-821 18974822355 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
重庆奥舍生物化工有限公司023-63225655 13320248848 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
溧阳市昆仑生物科技有限公司0519-87310015 13813530041 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
扬州海昊生物科技有限公司0514-15895751441 15895751441 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Related reactions
9 records
Compound notes
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