2-Mercapto-3-methyl-3H-quinazolin-4-one - CAS 1705-09-5
Catalog: |
BB050513 |
Product Name: |
2-Mercapto-3-methyl-3H-quinazolin-4-one |
CAS: |
1705-09-5 |
Synonyms: |
2-Mercapto-3-methylquinazolin-4(3H)-one; 2-mercapto-3-methyl-3,4-dihydroquinazolin-4-one |
IUPAC Name: | 3-methyl-2-sulfanylidene-1H-quinazolin-4-one |
Description: | 2-Mercapto-3-methyl-3H-quinazolin-4-one (CAS# 1705-09-5 ) is a useful research chemical. |
Molecular Weight: | 192.24 |
Molecular Formula: | C9H8N2OS |
Canonical SMILES: | CN1C(=O)C2=CC=CC=C2NC1=S |
InChI: | InChI=1S/C9H8N2OS/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13) |
InChI Key: | NVINMHFLRZHVKS-UHFFFAOYSA-N |
Boiling Point: | 324.6 ℃ at 760 mmHg |
Density: | 1.4 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.03573406 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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