3-Bromopyridine-2-carbothioamide

CAT: 0926-SMC12539-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-SMC12539-01Size:50 mg

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CAS Number

1567125-39-6

MDL Number

MFCD26858721

Smiles

C1=CC (=C (N=C1) C (=S) N) Br

Molecular Formula

C6H5BrN2S

Molecular Weight

217.09 g/mol

Controlled

Chemical Information

3-Bromopyridine-2-carbothioamide

CAS Number	1567125-39-6
PubChem CID	104310366
IUPAC Name	3-bromopyridine-2-carbothioamide
Molecular Formula	C6H5BrN2S
Molecular Weight	217.09
XLogP	1.4
Topological Polar Surface Area	71
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	140

SMILES

C1=CC(=C(N=C1)C(=S)N)Br

InChI

InChI=1S/C6H5BrN2S/c7-4-2-1-3-9-5(4)6(8)10/h1-3H,(H2,8,10)

InChIKey

RVSIBJIVOFWJRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1567125-39-6

CID: 104310366

Formula: C6H5BrN2S

MW: 217.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.09
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	215.93568
Monoisotopic Mass	215.93568
Topological Polar Surface Area	71 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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
QKB09382-01	5-Bromopyridine-3-carbothioamide
QYB52094-01	5-Bromopyridine-2-carbothioamide
SBA24205-01	2-Aminopyridine-3-carbothioamide
RQB83797-01	2-Methoxypyridine-3-carbothioamide
JJB29720-01	3-Aminopyrazine-2-carbothioamide
MCA57447-01	2-Aminoquinoline-3-carbothioamide
ELC14692-01	2-Sulfanylpyridine-3-carbothioamide
QCA93887-01	3-Bromopyridine-2-sulfonamide
FA50747-01	3-Amino-2-bromopyridine
FA55484-01	2-Amino-3-bromopyridine

Catalog	Name
sc-341417	2-aminopyridine-3-carbothioamide
OR1071623-01	2-Methyltetrahydrofuran-3-carbothioamide
OR1026026-01	3-Methylpyridine-2-Carbothioamide
OR1058747-01	2-Aminothiophene-3-carbothioamide
sc-347196	3-methylthiophene-2-carbothioamide
sc-280266	2-Benzyloxy-3-bromopyridine
OR59810-01	2-Amino-3-bromopyridine
423611-01	3-Acetyl-2-bromopyridine
OR52783-01	2-Acetyl-3-bromopyridine
OR310082-01	2- (Benzyloxy) -3-bromopyridine