tert-butyl 4-chlorothiazol-2-ylcarbamate - CAS 1373223-09-6

Catalog:	BB054123
Product Name:	tert-butyl 4-chlorothiazol-2-ylcarbamate
CAS:	1373223-09-6
Synonyms:	(4-Chloro-thiazol-2-yl)-carbamic acid tert-butyl ester; tert-butyl (4-chlorothiazol-2-yl)carbamate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate
Molecular Weight:	234.7
Molecular Formula:	C8H11ClN2O2S
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC(=CS1)Cl
InChI:	InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12)
InChI Key:	RRRSEOPYCBAJKC-UHFFFAOYSA-N
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Halides

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1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane

Thiazolines/Thiazolidines

[2682-20-4]
Methylisothiazolinone
[138169-43-4]
MTS Reagent
[69570-82-7]
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
[16240-00-9]
(2Z)-3-(2-Methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
[96-53-7]
2-Thiazoline-2-thiol
[5374-29-8]
(2Z)-(2,4-Dioxo-1,3-thiazolidin-5-ylidene)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.0229765
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.0229765
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8