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Carbamothioic acid,N-phenyl-, O-ethyl ester structure
Carbamothioic acid,N-phenyl-, O-ethyl ester structure

Carbamothioic acid,N-phenyl-, O-ethyl ester

Iupac Name:(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CAS No.:569-83-5
Molecular Weight:354.4
1. Names and Identifiers
1.1 Name
Carbamothioic acid,N-phenyl-, O-ethyl ester
1.2 Synonyms

AC1LQQK5 ai3-16955 AK221557 AKOS004904130 carbamothioic acid, phenyl-, o-ethyl ester Carbamothioicacid, phenyl-, O-ethyl ester (9CI) carbanilic acid, o-ethyl ester carbanilic acid, thio-, o-ethyl ester Carbanilic acid, thio-, O-ethyl ester(6CI,7CI,8CI) carbanilic acid, thiono-, ethyl ester Carbanilic acid, thiono-, ethyl ester (5CI) CBDIVE_002137 CTK8I1390 DTXSID30185051 ethoxy(phenylamino)methane-1-thione ethoxy(phenylimino)methanethiol ethyl n-phenylthiocarbamate ethyl phenylaminothioformate EthylN-phenylthiocarbamate LS-51550 MCULE-3163154862 nsc 47840 nsc 7236 nsc47840 nsc-47840 nsc7236 nsc-7236 o-ethyl n-phenylcarbamothioate O-Ethyl N-phenylthiocarbamate o-ethyl phenylcarbamothioate o-ethyl phenylthiocarbamate o-ethyl thiocarbanilate O-Ethylthiocarbanilate OR256376 phenylthiourethane SCHEMBL465265 ST50546326 wln: suyo2&mr ZINC11525648

1.3 CAS No.
569-83-5
1.4 CID
639665
1.5 Molecular Formula
C10H12N2O6S (isomer)
1.6 Inchi
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
1.7 InChkey
ORXQGKIUCDPEAJ-YRNVUSSQSA-N
1.8 Canonical Smiles
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C
1.9 Isomers Smiles
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
2. 3D Conformer
3. Properties
3.1 Density
1.072
3.2 Melting Point
Mp 172 °
3.3 Boiling Point
258.5°C at 760 mmHg
3.4 Flash Point
4.4°C
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