6-Methylbenzoxazole-2(3H)-thione - CAS 23417-29-0
Catalog: |
BB018047 |
Product Name: |
6-Methylbenzoxazole-2(3H)-thione |
CAS: |
23417-29-0 |
Synonyms: |
6-methyl-3H-1,3-benzoxazole-2-thione; 6-methyl-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 6-methyl-3H-1,3-benzoxazole-2-thione |
Description: | 6-Methylbenzoxazole-2(3H)-thione (CAS# 23417-29-0) is a useful research chemical. |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=S)O2 |
InChI: | InChI=1S/C8H7NOS/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H,9,11) |
InChI Key: | NUMDWMDMUXZMHA-UHFFFAOYSA-N |
Boiling Point: | 270.5 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD00087075 |
LogP: | 2.79880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019194179-A1 | Antibiotic compounds | 20160822 |
JP-2017179130-A | Actinic ray curable inkjet ink and image forming method | 20160330 |
EP-3182973-B1 | Tricyclic nitrogen containing compounds for treating neisseria gonorrhoea infection | 20140822 |
US-2017304301-A1 | Tricyclic nitrogen containing compounds for treating neisseria gonorrhoea infection | 20140822 |
WO-2016027249-A1 | Tricyclic nitrogen containing compounds for treating neisseria gonorrhoea infection | 20140822 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02483502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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