4- (4-Bromophenyl) pyrimidine-2-thiol

CAT: 0926-NB57410-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-NB57410-01Size:500 mg

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CAS Number

832741-25-0

MDL Number

MFCD04969953

Smiles

C1=CC (=CC=C1C2=CC=NC (=S) N2) Br

Molecular Formula

C10H7BrN2S

Molecular Weight

267.15 g/mol

Controlled

Chemical Information

4-(4-Bromophenyl)-2-pyrimidinethiol

CAS Number	832741-25-0
PubChem CID	7017700
IUPAC Name	6-(4-bromophenyl)-1H-pyrimidine-2-thione
Molecular Formula	C10H7BrN2S
Molecular Weight	267.15
XLogP	2.2
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	290

SMILES

C1=CC(=CC=C1C2=CC=NC(=S)N2)Br

InChI

InChI=1S/C10H7BrN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)

InChIKey

OZHVNHFKKQMINS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 832741-25-0

CID: 7017700

Formula: C10H7BrN2S

MW: 267.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.15
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	265.95133
Monoisotopic Mass	265.95133
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AEA52750-01	2- (4-Bromophenyl) quinazoline-4-thiol
NF57411-01	4- (4-Fluorophenyl) pyrimidine-2-thiol
NC44282-01	4- (4-Chlorophenyl) pyrimidine-2-thiol
PDC21038-01	2- (4-Bromophenyl) -4- (chloromethyl) pyrimidine
NA57404-01	2-Amino-4- (4-bromophenyl) pyrimidine
ZJB77972-01	4- (Pyridin-4-yl) pyrimidine-2-thiol
RCA52211-01	4- (tert-Butyl) pyrimidine-2-thiol
SQA30725	2-Amino-4- (3-bromophenyl) pyrimidine
PAA08055-01	Thieno[2,3-d]pyrimidine-4-thiol
RAA22924-01	Thieno[3,2-d]pyrimidine-4-thiol

Catalog	Name
295554-01	4- (4-Bromophenyl) pyrimidine-2-thiol
OR97891	4- (3-Bromophenyl) pyrimidine-2-thiol
232522-01	4- (4-Bromophenyl) pyrimidine-2-thiol 99+% (HPLC)
sc-352944	6- (4-bromophenyl) thieno[3,2-d]pyrimidine-4-thiol
OR6403-01	2- (4-Bromophenyl) pyrimidine
abx184340	PyriMidine-4-thiol
sc-226448	4- (Trifluoromethyl) pyrimidine-2-thiol
OR1004739-01	4-Methyl-pyrimidine-2-thiol
sc-352541	4-Phenyl-pyrimidine-2-thiol
sc-356828A	4- (4-Methoxyphenyl) pyrimidine-2-thiol