N-Hydroxybenzeneethanethioamide

CAT: 1299-RG-E140343-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140343-02Size:25 mg

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CAS Number

10593-79-0

Synonyms

(Z) -N-hydroxy-2-phenylethanimidothioic acid

Molecular Formula

C8H9NOS

Molecular Weight

167.23

Product Name Synonym

(Z) -N-hydroxy-2-phenylethanimidothioic acid

Chemical Information

Phenylthioacetohydroximic acid

Phenylthioacetohydroximic acid is a member of acetohydroximates and an organosulfur compound. It is a conjugate acid of a phenylthioacetohydroximate.

CAS Number	10593-79-0
PubChem CID	3295299
IUPAC Name	N-hydroxy-2-phenylethanethioamide
Molecular Formula	C8H9NOS
Molecular Weight	167.23
XLogP	1.2
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

C1=CC=C(C=C1)CC(=S)NO

InChI

InChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)

InChIKey

IHTJGIKQNHDTSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 10593-79-0

CID: 3295299

Formula: C8H9NOS

MW: 167.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.23
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	167.04048508
Monoisotopic Mass	167.04048508
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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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