Molecule ID: 676454

IUPAC Name: phenylthiourea

Description: The molecule is a member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor. It derives from a thiourea.

SMILES: N=C(S)Nc1ccccc1

SELFIES: [N][=C][Branch1][C][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 0.7