Naphthalene-1-thiocarboxamide - CAS 20300-10-1

Catalog:	BB015784
Product Name:	Naphthalene-1-thiocarboxamide
CAS:	20300-10-1
Synonyms:	naphthalene-1-carbothioamide

Technical Data

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Computed Properties

IUPAC Name:	naphthalene-1-carbothioamide
Description:	Naphthalene-1-thiocarboxamide (CAS# 20300-10-1) is a useful research chemical.
Molecular Weight:	187.26
Molecular Formula:	C11H9NS
Canonical SMILES:	C1=CC=C2C(=C1)C=CC=C2C(=S)N
InChI:	InChI=1S/C11H9NS/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)
InChI Key:	DRCKUACWKCMOCB-UHFFFAOYSA-N
Boiling Point:	360.3 °C at 760 mmHg
Density:	1.247 g/cm³
MDL:	MFCD08164114
LogP:	3.17430

Publication Number	Title	Priority Date
US-2009163481-A1	Ppar-delta ligands and methods of their use	20071213
WO-2009078981-A2	Ppar-delta ligands and methods of their use	20071213
KR-101135806-B1	Isoxazolin for Invertebrate Pest Control	20051230
KR-20080094015-A	Isoxazolin for Invertebrate Pest Control	20051230
US-2004011252-A1	Non-toxic corrosion-protection pigments based on manganese	20030113

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H400 (90.48%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P264, P270, P273, P301+P317, P330, P391, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.04557046
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.04557046
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3