phenylmethanethiol hydrate

Systemtic Name: phenylmethanethiol hydrate Openeye Name: phenylmethanethiol hydrate CAS Name: phenylmethanethiol hydrate IUPAC Name: phenylmethanethiol hydrate Traditional Name: phenylmethanethiol hydrate Formula: C14H18OS2 MolecularWeight: 266.42212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS.C1=CC=C(C=C1)CS.O

Isomeric SMILES

C1=CC=C(C=C1)CS.C1=CC=C(C=C1)CS.O

InChI

InChI=1S/2C7H8S.H2O/c2*8-6-7-4-2-1-3-5-7;/h2*1-5,8H,6H2;1H2