2-Amino-4,5-dimethoxybenzenethiol - CAS 100601-30-7
Catalog: |
BB075373 |
Product Name: |
2-Amino-4,5-dimethoxybenzenethiol |
CAS: |
100601-30-7 |
Synonyms: |
2-amino-4,5-dimethoxybenzene-1-thiol; 2-Amino-4,5-dimethoxybenzenethiol; 2-amino-4,5-dimethoxybenzene-thiol |
IUPAC Name: | 2-amino-4,5-dimethoxybenzenethiol |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | COC1=C(C=C(C(=C1)N)S)OC |
InChI: | InChI=1S/C8H11NO2S/c1-10-6-3-5(9)8(12)4-7(6)11-2/h3-4,12H,9H2,1-2H3 |
InChI Key: | FWNRXBFADOUSBR-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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