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4-Chloro-5-iodothieno[2,3-d]pyrimidine

4-Chloro-5-iodothieno[2,3-d]pyrimidine - CAS 885229-27-6

Catalog:	BB038908
Product Name:	4-Chloro-5-iodothieno[2,3-d]pyrimidine
CAS:	885229-27-6
Synonyms:	4-chloro-5-iodothieno[2,3-d]pyrimidine; 4-chloro-5-iodothieno[2,3-d]pyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-5-iodothieno[2,3-d]pyrimidine
Description:	4-Chloro-5-iodothieno[2,3-d]pyrimidine (CAS# 885229-27-6 ) is a useful research chemical.
Molecular Weight:	296.52
Molecular Formula:	C6H2ClIN2S
Canonical SMILES:	C1=C(C2=C(S1)N=CN=C2Cl)I
InChI:	InChI=1S/C6H2ClIN2S/c7-5-4-3(8)1-11-6(4)10-2-9-5/h1-2H
InChI Key:	KMQCGVZKCHEYNQ-UHFFFAOYSA-N
LogP:	2.94930

Publication Number	Title	Priority Date
CA-3073108-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
CA-3073112-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
CA-3073113-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
CA-3073114-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
KR-20200041942-A	Macrocyclic MCL-1 inhibitors and uses thereof	20170815

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.86719
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.86719
Rotatable Bond Count:	0
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2