2-Phenylamino-thiazol-4-one - CAS 1253116-39-0

Catalog:	BB042781
Product Name:	2-Phenylamino-thiazol-4-one
CAS:	1253116-39-0
Synonyms:	(2Z)-2-(phenylimino)-1,3-thiazolidin-4-one; 2-(Phenylamino)thiazol-4(5H)-one

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-phenylimino-1,3-thiazolidin-4-one
Description:	2-Phenylamino-thiazol-4-one (CAS# 1253116-39-0 ) is a useful research chemical.
Molecular Weight:	192.24
Molecular Formula:	C9H8N2OS
Canonical SMILES:	C1C(=O)NC(=NC2=CC=CC=C2)S1
InChI:	InChI=1S/C9H8N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChI Key:	IYGBTPGRKGQPLW-UHFFFAOYSA-N

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Related Functional Groups

Thiazolines/Thiazolidines

[199167-79-8]
4-(2,4-Dioxothiazolidin-5-ylidenemethyl)benzoic acid
[553675-18-6]
2-(4-Biphenylylamino)-1,3-thiazol-4(5H)-one
[31061-24-2]
(2,4-Dioxo-1,3-thiazolidin-3-yl)acetic acid
[16240-00-9]
(2Z)-3-(2-Methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
[96-53-7]
2-Thiazoline-2-thiol
[66625-28-3]
2-(4-Methoxy-phenylamino)-thiazol-4-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.03573406
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.03573406
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9