6-Methyl-5-sulfonylchloride pyrimidine - CAS 6461-30-9
Catalog: |
BB050080 |
Product Name: |
6-Methyl-5-sulfonylchloride pyrimidine |
CAS: |
6461-30-9 |
Synonyms: |
1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinesulfonyl chloride; 6-Methyluracil-5-sulfonyl chloride; 5-(chlorosulfonyl)-6-methyl-1,3-dihydropyrimidine-2,4-dione; 6-methyluracil-5-sulfochloride; 6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride |
IUPAC Name: | 6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride |
Description: | 6-Methyl-5-sulfonylchloride pyrimidine (CAS# 6461-30-9 ) is a useful research chemical. |
Molecular Weight: | 224.62 |
Molecular Formula: | C5H5ClN2O4S |
Canonical SMILES: | CC1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H5ClN2O4S/c1-2-3(13(6,11)12)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10) |
InChI Key: | XDXYTKIQVSJRIX-UHFFFAOYSA-N |
Density: | 1.76 g/cm3 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9658555 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9658555 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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