4-Quinazolinethiol - CAS 3337-86-8
Catalog: |
BB047249 |
Product Name: |
4-Quinazolinethiol |
CAS: |
3337-86-8 |
Synonyms: |
quinazoline-4-thiol; 4-Mercaptoquinazoline; 4(3H)-Quinazolinethione |
IUPAC Name: | 1H-quinazoline-4-thione |
Description: | 4-Quinazolinethiol (CAS# 3337-86-8 ) is a useful research chemical. |
Molecular Weight: | 162.21 |
Molecular Formula: | C8H6N2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=S)N=CN2 |
InChI: | InChI=1S/C8H6N2S/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) |
InChI Key: | TWWNPUZQYVWXJY-UHFFFAOYSA-N |
Boiling Point: | 307 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.32 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: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.02516937 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.02516937 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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