O-Tolyl Isothiocyanate

Name: O-Tolyl Isothiocyanate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB074228
Product Name:	O-Tolyl Isothiocyanate
Synonyms:	1-Isothiocyanato-2-methylbenzene; 2-Methylphenyl isothiocyanate; 2-Tolyl isothiocyanate; NSC 220230; o-Methylphenyl isothiocyanate; o-Tolyl isothiocyanate

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	614-69-7
IUPAC Name:	1-isothiocyanato-2-methylbenzene
Molecular Weight:	149.21
Molecular Formula:	C8H7NS
Canonical SMILES:	CC1=CC=CC=C1N=C=S
InChI:	InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChI Key:	JYKYYPPZLPVIBY-UHFFFAOYSA-N

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Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

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4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide

GHS Hazard Statement:	H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0299204
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.0299204
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7