2-Cyclopentylethanethioamide

CAT: 0926-XZB36969-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-XZB36969-02Size:0.5 g

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CAS Number

1247369-69-2

MDL Number

MFCD14694912

Smiles

C1CCC (C1) CC (=S) N

Molecular Formula

C7H13NS

Molecular Weight

143.25 g/mol

Controlled

Chemical Information

2-Cyclopentylethanethioamide

CAS Number	1247369-69-2
PubChem CID	22141000
IUPAC Name	2-cyclopentylethanethioamide
Molecular Formula	C7H13NS
Molecular Weight	143.25
XLogP	1.9
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

C1CCC(C1)CC(=S)N

InChI

InChI=1S/C7H13NS/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,8,9)

InChIKey

MNTQEAZDFBBJHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247369-69-2

CID: 22141000

Formula: C7H13NS

MW: 143.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.25
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	143.07687059
Monoisotopic Mass	143.07687059
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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
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