4-Methoxyoxane-4-carbothioamide

CAT: 0926-APC26754-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-APC26754-01Size:50 mg

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CAS Number

1600267-54-6

MDL Number

MFCD28063967

Smiles

COC1 (CCOCC1) C (=S) N

Molecular Formula

C7H13NO2S

Molecular Weight

175.25 g/mol

Controlled

Chemical Information

4-Methoxyoxane-4-carbothioamide

CAS Number	1600267-54-6
PubChem CID	86775584
IUPAC Name	4-methoxyoxane-4-carbothioamide
Molecular Formula	C7H13NO2S
Molecular Weight	175.25
XLogP	-0.2
Topological Polar Surface Area	76.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	155

SMILES

COC1(CCOCC1)C(=S)N

InChI

InChI=1S/C7H13NO2S/c1-9-7(6(8)11)2-4-10-5-3-7/h2-5H2,1H3,(H2,8,11)

InChIKey

CTWGYVSFNXIQQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1600267-54-6

CID: 86775584

Formula: C7H13NO2S

MW: 175.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.25
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	175.06669983
Monoisotopic Mass	175.06669983
Topological Polar Surface Area	76.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
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
LEA51147-01	4- (Bromomethyl) -4-methoxyoxane
FGA65056-01	4-Methoxyoxane-4-carbonitrile
AHA98276-01	4-Methoxyoxane-4-carbaldehyde
LCD11591-01	4-Methoxyoxane-4-carbohydrazide
AHA98283-01	Methyl 4-methoxyoxane-4-carboxylate
DPC87941-01	N'-Hydroxy-4-methoxyoxane-4-carboximidamide
XCA66256-01	Thiomorpholine-4-carbothioamide
NDA89174-01	Pyrimidine-4-carbothioamide
TJB99820-01	4-Hydroxypiperidine-1-carbothioamide
WYB72380-01	2-Methanesulfonylpyridine-4-carbothioamide

Catalog	Name
287477-01	Pyridine-4-carbothioamide
sc-264407	Thiazole-4-carbothioamide
OR928020-01	Quinoline-4-carbothioamide
OR79542-01	Piperidine-4-carbothioamide
OR944576-01	Morpholine-4-carbothioamide
TRC-A614458-50MG	N-Aminomorpholine-4-carbothioamide
sc-277537	4-methylpiperazine-1-carbothioamide
sc-262091	4-Methylbenzene-1-carbothioamide
sc-349223A	4-bromothiophene-2-carbothioamide
OR28662	4-Chlorobenzene-1-carbothioamide