5-Methyl-2,1,3-benzothiadiazol-4-amine - CAS 3338-93-0
Catalog: |
BB021691 |
Product Name: |
5-Methyl-2,1,3-benzothiadiazol-4-amine |
CAS: |
3338-93-0 |
Synonyms: |
5-methyl-2,1,3-benzothiadiazol-4-amine |
IUPAC Name: | 5-methyl-2,1,3-benzothiadiazol-4-amine |
Description: | 5-Methyl-2,1,3-benzothiadiazol-4-amine (CAS# 3338-93-0) is a useful research chemical. |
Molecular Weight: | 165.22 |
Molecular Formula: | C7H7N3S |
Canonical SMILES: | CC1=C(C2=NSN=C2C=C1)N |
InChI: | InChI=1S/C7H7N3S/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3 |
InChI Key: | HREWQZHLWPVDGL-UHFFFAOYSA-N |
Boiling Point: | 310.8 ℃ at 760 mmHg |
Density: | 1.399 g/cm3 |
MDL: | MFCD00185827 |
LogP: | 2.16310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CS-202052-B2 | Process for preparing new 4-/2-imidazolin-2-yl-amino/-2,1,3-benzothiadiazoles | 19720509 |
IL-42231-A | 4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole derivatives their production and pharmaceutical compositions containing them | 19720509 |
SU-416359-A1 | Method of obtaining 5-methyl-4,7-dioxobenz-2,1,3-tiadiazole | 19711123 |
US-3481683-A | 4-benzothiazoyl and 4-benzothiadiazoyl azo dyed polyolefin articles and fibers and their dyeing | 19640720 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.03606841 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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