4-(Piperazin-1-yl)thieno[2,3-d]pyrimidine - CAS 373356-48-0

Catalog:	BB076626
Product Name:	4-(Piperazin-1-yl)thieno[2,3-d]pyrimidine
CAS:	373356-48-0
Synonyms:	4-(piperazin-1-yl)thieno[2,3-d]pyrimidine; 4-piperazin-1-ylthieno[2,3-d]pyrimidine; 1-{thieno[2,3-d]pyrimidin-4-yl}piperazine; 4-(1-Piperazinyl)thieno[2,3-d]pyrimidine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-piperazin-1-ylthieno[2,3-d]pyrimidine
Description:	4-(Piperazin-1-yl)thieno[2,3-d]pyrimidine (cas# 373356-48-0) is a useful research chemical.
Molecular Weight:	220.29
Molecular Formula:	C10H12N4S
Canonical SMILES:	C1CN(CCN1)C2=C3C=CSC3=NC=N2
InChI:	InChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChI Key:	HFGUINASBGDWLY-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:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.07826757
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.07826757
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9