5-Bromo-2-pyrrolidinothiazole - CAS 933696-74-3

Catalog:	BB071449
Product Name:	5-Bromo-2-pyrrolidinothiazole
CAS:	933696-74-3
Synonyms:	5-BROMO-2-(PYRROLIDIN-1-YL)THIAZOLE; 5-BROMO-2-PYRROLIDINOTHIAZOLE; 5-bromo-2-pyrrolidin-1-yl-1,3-thiazole; 5-Bromo-2-(1-pyrrolidinyl)thiazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-bromo-2-pyrrolidin-1-yl-1,3-thiazole
Description:	5-Bromo-2-pyrrolidinothiazole
Molecular Weight:	233.13
Molecular Formula:	C7H9BrN2S
Canonical SMILES:	C1CCN(C1)C2=NC=C(S2)Br
InChI:	InChI=1S/C7H9BrN2S/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2
InChI Key:	ZKEGFBGVGXMOKL-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): 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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.96698
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.96698
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9