Azetidine-1-carbothioamide

CAT: 0926-GCA54690-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GCA54690-01Size:50 mg

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CAS Number

56546-90-8

MDL Number

MFCD19215549

Smiles

C1CN (C1) C (=S) N

Molecular Formula

C4H8N2S

Molecular Weight

116.19 g/mol

Controlled

Chemical Information

Azetidine-1-carbothioamide

CAS Number	56546-90-8
PubChem CID	18619375
IUPAC Name	azetidine-1-carbothioamide
Molecular Formula	C4H8N2S
Molecular Weight	116.19
XLogP	0
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	87

SMILES

C1CN(C1)C(=S)N

InChI

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

InChIKey

TVXXEYSOBIMTAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56546-90-8

CID: 18619375

Formula: C4H8N2S

MW: 116.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.19
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	116.04081944
Monoisotopic Mass	116.04081944
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	87.7
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	1
Compound Is Canonicalized	Yes

Catalog	Name
TCA88166	Azepane-1-carbothioamide
RDC39773-01	1-Phenylcyclopentane-1-carbothioamide
VXC68324-01	1-Bromocyclopropane-1-carbothioamide
VJB86228-01	1-Phenylcyclopropane-1-carbothioamide
TJB99820-01	4-Hydroxypiperidine-1-carbothioamide
RQB73812-01	2-Propoxybenzene-1-carbothioamide
EEA31754-01	3-Hydroxybenzene-1-carbothioamide
KKC32267-01	1-Benzofuran-3-carbothioamide
GCA23674-01	4-Sulfamoylbenzene-1-carbothioamide
GBA95222-01	4-Methylpiperidine-1-carbothioamide

Catalog	Name
sc-280039	Pyrrolidine-1-carbothioamide
OR28638-01	Benzene-1-carbothioamide
426015-01	3-Hydroxybenzene-1-carbothioamide
sc-277537	4-methylpiperazine-1-carbothioamide
sc-347189A	3-methylpiperidine-1-carbothioamide
sc-262091	4-Methylbenzene-1-carbothioamide
sc-347212	3-nitrobenzene-1-carbothioamide
OR28662	4-Chlorobenzene-1-carbothioamide
sc-349649	4-nitrobenzene-1-carbothioamide
sc-355753A	N-phenylpiperidine-1-carbothioamide