Thiomorpholin-3-imine hydrochloride

CAT: 0926-EHA68520-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-EHA68520-01Size:100 mg

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CAS Number

179685-20-2

MDL Number

MFCD30734050

Smiles

C1CSCC (=N1) N.Cl

Molecular Formula

C4H9ClN2S

Molecular Weight

152.6 g/mol

Controlled

Chemical Information

Thiomorpholin-3-imine hydrochloride

CAS Number	179685-20-2
PubChem CID	11845416
IUPAC Name	3,6-dihydro-2H-1,4-thiazin-5-amine;hydrochloride
Molecular Formula	C4H9ClN2S
Molecular Weight	152.65
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	89

SMILES

C1CSCC(=N1)N.Cl

InChI

InChI=1S/C4H8N2S.ClH/c5-4-3-7-2-1-6-4;/h1-3H2,(H2,5,6);1H

InChIKey

STHMLYNOSSMXOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 179685-20-2

CID: 11845416

Formula: C4H9ClN2S

MW: 152.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.65
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	152.0174972
Monoisotopic Mass	152.0174972
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	89.7
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	2
Compound Is Canonicalized	Yes

Catalog	Name
KMB66846-01	N-Methoxyazetidin-3-imine hydrochloride
ABA87814-01	1,3-Dithietan-2-imine hydrochloride
CAA79974-01	1,3-Thiazinan-2-imine hydrochloride
IDC93379-01	Methyl 2- (thiomorpholin-3-yl) acetate hydrochloride
ICA72932-01	Thiomorpholin-3-ylmethanol
DEA74233-01	Thiomorpholin-3-ylmethanamine
HAA54477-01	1-Methylpyrrolidin-2-imine hydrochloride
UAA84214-01	3-Ethyl-1,4-dihydropyridin-4-imine hydrochloride
QZB52728-01	4- (Thiomorpholin-4-ylmethyl) benzoic acid hydrochloride
GJB97420	2-methylpyrimidin-4 (3H) -imine hydrochloride

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