4-Benzylmorpholine-2-carbothioamide

CAT: 0926-QZB52823-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-QZB52823-01Size:250 mg

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CAS Number

1240528-23-7

MDL Number

MFCD09953990

Smiles

C1COC (CN1CC2=CC=CC=C2) C (=S) N

Molecular Formula

C12H16N2OS

Molecular Weight

236.34 g/mol

Controlled

Chemical Information

4-Benzylmorpholine-2-carbothioamide

CAS Number	1240528-23-7
PubChem CID	47003396
IUPAC Name	4-benzylmorpholine-2-carbothioamide
Molecular Formula	C12H16N2OS
Molecular Weight	236.34
XLogP	1
Topological Polar Surface Area	70.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	241

SMILES

C1COC(CN1CC2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C12H16N2OS/c13-12(16)11-9-14(6-7-15-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,16)

InChIKey

CTMPIXXXJGQABE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1240528-23-7

CID: 47003396

Formula: C12H16N2OS

MW: 236.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.34
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	236.09833431
Monoisotopic Mass	236.09833431
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	241
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
KFA07212-01	4-benzylmorpholine-2-carboxamide
KAA31600-01	4-Benzylmorpholine
MDA95528-01	2-Benzylmorpholine
WYB72380-01	2-Methanesulfonylpyridine-4-carbothioamide
KKB27263-01	4-Methylmorpholine-2-carbothioamide
DNB73473-01	2-Methylmorpholine-4-carbothioamide
UTB45909-01	2-Hydroxypyridine-4-carbothioamide
TDC64119-01	4-Aminopyridine-2-carbothioamide
RQB81214-01	2- (Ethylamino) pyridine-4-carbothioamide
KLC97266-01	1,4-Dithiane-2-carbothioamide

Catalog	Name
OR909577-01	4-Benzylmorpholine
TRC-B535160-100MG	4-Benzylmorpholine-2-carbonitrile
MBS6084383-01	2-Hydroxymethyl-4-benzylmorpholine
OR1041325-01	4-Benzylmorpholine-2-carboxamide
OR308189-01	2-Benzylmorpholine
TRC-B410904-25MG	(R)-4-Benzylmorpholine-2-carbonitrile
OR96425-01	Ethyl 4-benzylmorpholine-2-carboxylate
OR200057-01	Methyl 4-benzylmorpholine-2-carboxylate
OR23182-01	4-Benzylmorpholine-2-carboxylic acid hydrochloride
OR308191-01	(2R) -2-Benzylmorpholine