1- (2-Methoxy-5-morpholinophenyl) thiourea

CAT: 0127-OR87412-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR87412-01Size:100 mg

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CAS Number

383870-59-5

MDL Number

MFCD18642706

Purity

97%

Smiles

S=C(N)NC1=C(OC)C=CC(N2CCOCC2)=C1

Chemical Information

1-(2-Methoxy-5-morpholinophenyl)thiourea

CAS Number	383870-59-5
PubChem CID	22015733
IUPAC Name	(2-methoxy-5-morpholin-4-ylphenyl)thiourea
Molecular Formula	C12H17N3O2S
Molecular Weight	267.35
XLogP	0.8
Topological Polar Surface Area	91.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	284

SMILES

COC1=C(C=C(C=C1)N2CCOCC2)NC(=S)N

InChI

InChI=1S/C12H17N3O2S/c1-16-11-3-2-9(8-10(11)14-12(13)18)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14,18)

InChIKey

UVCJPPOEVGOZJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 383870-59-5

CID: 22015733

Formula: C12H17N3O2S

MW: 267.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.35
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	267.10414797
Monoisotopic Mass	267.10414797
Topological Polar Surface Area	91.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	284
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

Catalog	Name
OR1020808	1- (2-Methoxy-5-nitrophenyl) -2-thiourea
OR1020807	1- (2-Methoxy-5-methylphenyl) -2-thiourea
OR89218	1-Allyl-3- (4-morpholinophenyl) thiourea
PC1026865-01	(5-Fluoro-2-morpholinophenyl) methanamine
OR1020793	1- (2,5-Dimethoxyphenyl) -2-thiourea
PC4131-01	1- (2,5-Difluorophenyl) -2-thiourea
OR1061934-01	(3-Methoxy-4-morpholinophenyl) boronic acid
OR1064086-01	1- (5-Methylpyridin-2-yl) thiourea
OR10012-01	1- (3,5-Dichlorophenyl) -2-thiourea
OR1020789	1- (2,4,5-Trichlorophenyl) -2-thiourea

Catalog	Name
RG-E140769-01	(5-methoxy-2-methyl-phenyl) thiourea
sc-274965	1- (2-methoxy-5-methylphenyl) thiourea
sc-281752	1- (2-Methoxy-5-nitrophenyl) -2-thiourea
sc-274971	(2-Methoxy-benzyl) -thiourea
sc-274972	(2-Methoxy-ethyl) -thiourea
NDA88440-01	(4-Methoxy-2-methylphenyl) thiourea
sc-342928A	(2-Methoxy-1-methyl-ethyl) -thiourea
sc-225738	(2,5-Difluorophenyl) thiourea
XCA80660-01	(2,5-Diethoxyphenyl) thiourea
RAA73819	(2,5-Dimethyl-phenyl) -thiourea