Thiamphenicol Impurity 8 HCl

CAT: 1596-AR-T04815-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04815-01Size:10 Units

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CAS Number

93839-90-8

Molecular Formula

C10H15NO4S. HCl

Molecular Weight

245.29 36.46

API Name

Thiamphenicol

Chemical Information

L-(-)-Threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diol hydrochloride

CAS Number	93839-90-8
PubChem CID	23726172
IUPAC Name	(1S,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol;hydrochloride
Molecular Formula	C10H16ClNO4S
Molecular Weight	281.76
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	303

SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H]([C@H](CO)N)O.Cl

InChI

InChI=1S/C10H15NO4S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;/h2-5,9-10,12-13H,6,11H2,1H3;1H/t9-,10-;/m0./s1

InChIKey

LDWKRIYCDUIKKD-IYPAPVHQSA-N

Chemical Structure

2D Structure

CAS: 93839-90-8

CID: 23726172

Formula: C10H16ClNO4S

MW: 281.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.76
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	281.0488569
Monoisotopic Mass	281.0488569
Topological Polar Surface Area	109 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
T005-5G	Thiamphenicol