Cysteamine Impurity 1

CAT: 1596-AR-C08827-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08827-02Size:25 Units

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CAS Number

2097678-00-5

Synonyms

Thiomorpholin-2-ol

Molecular Formula

C4H9NOS

Molecular Weight

119.18

API Name

Cysteamine

Chemical Information

2-Thiomorpholinol

CAS Number	2097678-00-5
PubChem CID	53672253
IUPAC Name	thiomorpholin-2-ol
Molecular Formula	C4H9NOS
Molecular Weight	119.19
XLogP	-0.3
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	59

SMILES

C1CSC(CN1)O

InChI

InChI=1S/C4H9NOS/c6-4-3-5-1-2-7-4/h4-6H,1-3H2

InChIKey

AENLMECSJBADRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2097678-00-5

CID: 53672253

Formula: C4H9NOS

MW: 119.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.19
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	119.04048508
Monoisotopic Mass	119.04048508
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	59.7
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

Catalog	Name
AR-C08829-01	Cysteamine Impurity 2
AR-C08828-01	Cysteamine Impurity 4 2HCl
AR-C08831-01	Cysteamine Impurity 3 HCl
AR-C03883-01	Cysteamine
AR-C04074-01	Cysteamine Hydrochloride
AR-C08830-01	Cysteamine Bitartrate
AR-C03884-01	Cysteamine-d4 HCl
AR-C08826-01	Cysteamine-d4 HCl
AR-C08916-01	Cysteine Impurity 1 Sodium Salt
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)