Pyrazineethanethiol

CAT: 0127-OR451304-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR451304-02Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

35250-53-4

MDL Number

MFCD00053160

Purity

96%

Smiles

SCCc1cnccn1

Storage Conditions

Store at 2-8°C

Chemical Information

Pyrazineethanethiol

CAS Number	35250-53-4
PubChem CID	61945
IUPAC Name	2-pyrazin-2-ylethanethiol
Molecular Formula	C6H8N2S
Molecular Weight	140.21
XLogP	0.4
Topological Polar Surface Area	26.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	77

SMILES

C1=CN=C(C=N1)CCS

InChI

InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2

InChIKey

QKVWBAMZPUHCMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35250-53-4

CID: 61945

Formula: C6H8N2S

MW: 140.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.21
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	140.04081944
Monoisotopic Mass	140.04081944
Topological Polar Surface Area	26.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77.5
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
OR322470-01	4-Pyridineethanethiol hydrochloride