3-Ethoxythiobenzamide - CAS 747411-11-6

Catalog:	BB035152
Product Name:	3-Ethoxythiobenzamide
CAS:	747411-11-6
Synonyms:	3-ethoxybenzenecarbothioamide

Technical Data

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Computed Properties

IUPAC Name:	3-ethoxybenzenecarbothioamide
Description:	3-Ethoxythiobenzamide (CAS# 747411-11-6 ) is a useful research chemical.
Molecular Weight:	181.25
Molecular Formula:	C9H11NOS
Canonical SMILES:	CCOC1=CC=CC(=C1)C(=S)N
InChI:	InChI=1S/C9H11NOS/c1-2-11-8-5-3-4-7(6-8)9(10)12/h3-6H,2H2,1H3,(H2,10,12)
InChI Key:	LXXDVDKIORLFFH-UHFFFAOYSA-N
Boiling Point:	311.9 °C at 760 mmHg
Purity:	95 %
Density:	1.158 g/cm³
MDL:	MFCD05270860
LogP:	2.41980

Publication Number	Title	Priority Date
EP-3555198-A1	Curable polymer latex compositions for the manufacture of rubber articles	20161215
JP-2020503401-A	Curable polymer latex compositions for rubber product manufacture	20161215
US-2020062879-A1	Curable Polymer Latex Compositions for the Manufacture of Rubber Articles	20161215
WO-2018111087-A1	Curable polymer latex compositions for the manufacture of rubber articles	20161215
CN-110072936-B	Curable polymer latex compositions for rubber article manufacture	20161215

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.05613515
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.05613515
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8