Cyclopentanethiocyanate

CAT: 0127-OR480649Size: 250 gDry Ice: NoHazardous: No

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CAT#:0127-OR480649Size:250 g

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CAS Number

5263-57-0

MDL Number

MFCD11100558

Purity

95%

Smiles

N#CSC1CCCC1

Chemical Information

Cyclopentanethiocyanate

CAS Number	5263-57-0
PubChem CID	12376019
IUPAC Name	cyclopentyl thiocyanate
Molecular Formula	C6H9NS
Molecular Weight	127.21
XLogP	2.2
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	107

SMILES

C1CCC(C1)SC#N

InChI

InChI=1S/C6H9NS/c7-5-8-6-3-1-2-4-6/h6H,1-4H2

InChIKey

ZTZNTHBAUFZQGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5263-57-0

CID: 12376019

Formula: C6H9NS

MW: 127.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.21
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	127.04557046
Monoisotopic Mass	127.04557046
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	107
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
sc-326710	Cyclopentanethiocyanate