4- (4-Fluorophenyl) pyrimidine-2-thiol

CAT: 0926-NF57411-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-NF57411-01Size:500 mg

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CAS Number

155957-43-0

Synonyms

4- (4-Fluorophenyl) -2-pyrimidinethiol

MDL Number

MFCD01315002

Smiles

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

Molecular Formula

C10H7FN2S

Molecular Weight

206.24 g/mol

Controlled

Chemical Information

4-(4-Fluorophenyl)-2-pyrimidinethiol

CAS Number	155957-43-0
PubChem CID	1474642
IUPAC Name	6-(4-fluorophenyl)-1H-pyrimidine-2-thione
Molecular Formula	C10H7FN2S
Molecular Weight	206.24
XLogP	1.6
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	290

SMILES

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

InChI

InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)

InChIKey

IKNROSDVLWITKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155957-43-0

CID: 1474642

Formula: C10H7FN2S

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	206.03139757
Monoisotopic Mass	206.03139757
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
HFB22168-01	6- (4-Fluorophenyl) thieno[3,2-d]pyrimidine-4-thiol
GPA56950-01	5- (4-Fluorophenyl) thieno[2,3-d]pyrimidine-4-thiol
NC44282-01	4- (4-Chlorophenyl) pyrimidine-2-thiol
NB57410-01	4- (4-Bromophenyl) pyrimidine-2-thiol
PDC35022-01	4- (Chloromethyl) -2- (4-fluorophenyl) pyrimidine
ZJB77972-01	4- (Pyridin-4-yl) pyrimidine-2-thiol
NA57405-01	2-Amino-4- (4-fluorophenyl) pyrimidine
RCA52211-01	4- (tert-Butyl) pyrimidine-2-thiol
NF57447-01	6- (4-Fluorophenyl) pyrimidine-2,4-diamine
IDA21730-01	4,6-dichloro-2- (4-fluorophenyl) pyrimidine

Catalog	Name
296147-01	4- (4-Fluorophenyl) pyrimidine-2-thiol
PC104333	4- (2-Fluorophenyl) pyrimidine-2-thiol
PC104334	4- (3-Fluorophenyl) pyrimidine-2-thiol
232563-01	4- (4-Fluorophenyl) pyrimidine-2-thiol 99+% (HPLC)
sc-350099	5- (4-fluorophenyl) thieno[2,3-d]pyrimidine-4-thiol
PC6215	6- (4-Fluorophenyl) thieno[3,2-d]pyrimidine-4-thiol
abx184340	PyriMidine-4-thiol
sc-352541	4-Phenyl-pyrimidine-2-thiol
OR4211	4- (4-Chlorophenyl) pyrimidine-2-thiol
295554-01	4- (4-Bromophenyl) pyrimidine-2-thiol