Diphenylthiourea, sulfocarbanilide, sym-Diphenylthiourea, thiocarbanilide
BitterDB id=63 , Synthetic Detailed experimental validation described in the associated resource.
References for the compound bitterness
Resource
Comment
[1]
Dotson CD, Zhang L, Xu H, Shin YK, Vigues S, et al. (2008). Bitter taste receptors influence glucose homeostasis. PLoS One 3(12): e3974. PubMed 19092995
[2]
Meyerhof W, Batram C, Kuhn C, Brockhoff A, Chudoba E, et al. (2010). The molecular receptive ranges of human TAS2R bitter taste receptors. Chem Senses 35(2): 157-70. PubMed 20022913
[3]
Merck Index Monograph Number:
Known bitter receptors targets:
Sensory data about the compound bitterness:
There is no sensory data available
Properties:
Mol. Weight: 228.32 [g/mol] AlogP(octanol-water): 3.49550
# Hydrogen Bond Donor: 2# Hydrogen Bond Acceptor: 1
# Aromatic Rings: 2# Rings: 2
# Rotatable Bonds: 2
Rat Acute Oral LD50: 49.9 [mg/kg B.W.]
Identifiers:
CAS Registry Number:
102-08-9
Formula: C13H12N2S
IUPAC Systematic Name:
Show IUPAC Name
SMILES:
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Canonical SMILES:
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InChI Key: FCSHMCFRCYZTRQ-UHFFFAOYSA-N
Links:
hTas2r1