3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE - CAS 10215-25-5
Catalog: |
BB043336 |
Product Name: |
3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE |
CAS: |
10215-25-5 |
Synonyms: |
10215-25-5; 9H-thioxanthene-3,6-diamine10,10-dioxide; 3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE; BRN0233223; 9H-Thioxanthene-3,6-diamine,10,10-dioxide; EINECS233-527-1 |
IUPAC Name: | 10,10-dioxo-9H-thioxanthene-3,6-diamine |
Description: | 3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE (CAS# 10215-25-5 ) is a useful research chemical. |
Molecular Weight: | 260.31 |
Molecular Formula: | C13H12N2O2S |
Canonical SMILES: | C1C2=C(C=C(C=C2)N)S(=O)(=O)C3=C1C=CC(=C3)N |
InChI: | InChI=1S/C13H12N2O2S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)18(16,17)12(8)6-10/h1-4,6-7H,5,14-15H2 |
InChI Key: | UPVRZVIJGVFROW-UHFFFAOYSA-N |
Boiling Point: | 570.3 °C at 760 mmHg |
Melting Point: | 213-215 °C |
Purity: | 95 % |
Density: | 1.468 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 385 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0619488 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0619488 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 94.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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