4-Amino-6-chloro-2-(methylthio)pyrimidine - CAS 1005-38-5
Catalog: |
BB000255 |
Product Name: |
4-Amino-6-chloro-2-(methylthio)pyrimidine |
CAS: |
1005-38-5 |
Synonyms: |
6-chloro-2-methylsulfanylpyrimidin-4-amine |
IUPAC Name: | 6-chloro-2-methylsulfanylpyrimidin-4-amine |
Description: | 4-Amino-6-chloro-2-(methylthio)pyrimidine (CAS# 1005-38-5) is a halogenated heterocycle, a useful synthesis intermediate. |
Molecular Weight: | 175.64 |
Molecular Formula: | C5H6ClN3S |
Canonical SMILES: | CSC1=NC(=CC(=N1)Cl)N |
InChI: | InChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9) |
InChI Key: | ISUXMAHVLFRZQU-UHFFFAOYSA-N |
Boiling Point: | 338.7 ℃ at 760 mmHg |
Melting Point: | 130-134 ℃ |
Purity: | 95 % |
Density: | 1.45 g/cm3 |
Appearance: | Off-white to beige or yellow crystalline powder |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00006088 |
LogP: | 2.01530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021152149-A1 | Ras inhibitors and methods of using the same | 20200131 |
WO-2021094208-A1 | Substituted imidazo pyrimidine ep3 antagonists | 20191112 |
WO-2021018287-A1 | Spiroaromatic compound, preparation and application thereof | 20190801 |
US-2020281926-A1 | Carboxamide-pyrimidine derivatives as shp2 antagonists | 20190307 |
WO-2020181283-A1 | Carboxamide-pyrimidine derivatives as shp2 antagonists | 20190307 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9970961 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9970961 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Amines and Anilines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS