2-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]aniline - CAS 923230-55-1
Catalog: |
BB040484 |
Product Name: |
2-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]aniline |
CAS: |
923230-55-1 |
Synonyms: |
2-[(4-methyl-1,2,4-triazol-3-yl)thio]aniline; 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline |
IUPAC Name: | 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline |
Description: | 2-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]aniline (CAS# 923230-55-1) is a useful research chemical. |
Molecular Weight: | 206.27 |
Molecular Formula: | C9H10N4S |
Canonical SMILES: | CN1C=NN=C1SC2=CC=CC=C2N |
InChI: | InChI=1S/C9H10N4S/c1-13-6-11-12-9(13)14-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3 |
InChI Key: | YLPLMOXPXOYIDQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.06261751 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.06261751 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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