2-Amino-4-methylbenzene-1-thiol - CAS 31183-81-0
Catalog: |
BB074567 |
Product Name: |
2-Amino-4-methylbenzene-1-thiol |
CAS: |
31183-81-0 |
Synonyms: |
2-Amino-4-methylbenzenethiol; 2-amino-4-methylbenzene-1-thiol; Benzenethiol, 2-amino-4-methyl- |
IUPAC Name: | 2-amino-4-methylbenzenethiol |
Description: | 2-amino-4-methylbenzene-1-thiol (cas# 31183-81-0) is a useful research chemical. |
Molecular Weight: | 139.21 |
Molecular Formula: | C7H9NS |
Canonical SMILES: | CC1=CC(=C(C=C1)S)N |
InChI: | InChI=1S/C7H9NS/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3 |
InChI Key: | QCLMTLDABHUUBC-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: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.04557046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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