Citiolone

CAT: 1299-RM-C092100-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C092100-01Size:10 mg

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

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CAS Number

1195-16-0

Synonyms

N- (2-oxotetrahydrothiophen-3-yl) acetamide

Molecular Formula

C6H9NO2S

Molecular Weight

159.21

Target Alternative Name

Citiolone

Product Name Synonym

N- (2-oxotetrahydrothiophen-3-yl) acetamide

Chemical Information

Citiolone

N-(2-oxo-3-thiolanyl)acetamide is a N-acyl-amino acid.

CAS Number	1195-16-0
PubChem CID	14520
IUPAC Name	N-(2-oxothiolan-3-yl)acetamide
Molecular Formula	C6H9NO2S
Molecular Weight	159.21
XLogP	-0.3
Topological Polar Surface Area	71.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	169

SMILES

CC(=O)NC1CCSC1=O

InChI

InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)

InChIKey

NRFJZTXWLKPZAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1195-16-0

CID: 14520

Formula: C6H9NO2S

MW: 159.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.21
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	159.03539970
Monoisotopic Mass	159.03539970
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes