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(phenylmethyl) carbamimidothioate; prop-2-ynoic acid

(phenylmethyl) carbamimidothioate; prop-2-ynoic acid

Systemtic Name:(phenylmethyl) carbamimidothioate; prop-2-ynoic acid
Openeye Name:2-benzylisothiourea; prop-2-ynoic acid
CAS Name:carbamimidothioic acid (phenylmethyl) ester; 2-propynoic acid
IUPAC Name:benzyl carbamimidothioate; prop-2-ynoic acid
Traditional Name:2-benzylisothiourea; propiolic acid
Formula: C11H12N2O2S
MolecularWeight: 236.29018
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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)O.C1=CC=C(C=C1)CSC(=N)N


Isomeric SMILES

C#CC(=O)O.C1=CC=C(C=C1)CSC(=N)N


InChI

InChI=1S/C8H10N2S.C3H2O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3(4)5/h1-5H,6H2,(H3,9,10);1H,(H,4,5)


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