4-Bromo-2-thiazolamine

CAT: 0926-FB19104-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FB19104-01Size:25 g

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CAS Number

502145-18-8

Synonyms

NSC 227856

MDL Number

MFCD06804547

Smiles

C1=C (N=C (S1) N) Br

Molecular Formula

C3H3BrN2S

Molecular Weight

179.04 g/mol

Controlled

Chemical Information

4-Bromo-1,3-thiazol-2-amine

CAS Number	502145-18-8
PubChem CID	428024
IUPAC Name	4-bromo-1,3-thiazol-2-amine
Molecular Formula	C3H3BrN2S
Molecular Weight	179.04
XLogP	1.6
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	70

SMILES

C1=C(N=C(S1)N)Br

InChI

InChI=1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)

InChIKey

QJPQUNWGOHADOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 502145-18-8

CID: 428024

Formula: C3H3BrN2S

MW: 179.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.04
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.92003
Monoisotopic Mass	177.92003
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70
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

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