Benzothiazole (data page)

OrganicBox complete
synthetic=yes
wiki_name=Benzothiazole
name=1,3-benzothiazole
= GENERAL INFORMATION =

mass=139.19
C=7 | H=5 | N=1 | S=1
abbreviation=


synonyms=1-thia-3-azaindene
Benzosulfonazole
= DATABASES =

SMILES=C1(C=CC=C2)=C2SC=N1
InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
ATC_prefix=
ATC_suffix=
ATC_supplemental=
CAS=95-16-9
DrugBank=
EINECS=202-396-2
PubChem=7222
= PHYSICAL PROPERTIES =

--------------- Structure -------------
index_of_refraction=
abbe_number=
dielectric_constant=
magnetic_susceptibility=
dipole_moment=
------------- U-V data --------------
lambda_max=
extinction_coefficient=
------------- Infrared data --------------
absorbtion_bands=
------------- NMR data --------------
proton_NMR=
carbon_NMR=
other_NMR=
------------- Spectrometry data --------------
mass_spectrometry=
-------- Phase behaviour -------
delta_f_H_o=
delta_fus_H_o=
delta_fus_S_o=
triple_point_K=
triple_point_C=
triple_point_Pa=
criticle_point_K=
criticle_point_C=
criticle_point_Pa=4.8 M
------- Solid properties -------
S_o_solid=
heat_capacity_solid=
density_solid=
melting_point_C=2
melting_point_F=
melting_point_K=275
------- Liquid properties -------
delta_vap_H_o=
delta_vap_S_o=
S_o_liquid=
heat_capacity_liquid=
density_liquid=1.23
viscosity_liquid=
boiling_point_C=231
boiling_point_F=
boiling_point_K=
------------- Gas properties --------------
S_o_gas=
heat_capacity_gas=
viscosity_gas=
= HAZARD PROPERTIES =

MSDS=
main_hazards=
nfpa_health=
nfpa_flammability=
nfpa_reactivity=
nfpa_special=
flash_point=112
r_phrases=
s_phrases=
RTECS_number=
= CHEMICAL PROPERTIES =

XLogP=1.776
isoelectric_point=
disociation_constant=
tautomers=
H_bond_donor=0
H_bond_acceptor=1
= PHARMACOLOGICAL PROPERTIES =

bioavailability=
metabolism=
elimination_half-life=
excretion=
pregnancy_category=
legal_status=
routes_of_administration=