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3-Methyloxetane-3-carbothioamide

CAT: 0127-OR1053267-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1053267-01Size:25 mg
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CAS Number
2172037-95-3
Purity
95%
Smiles
S=C(C1(C)COC1)N

Chemical Information

3-Methyloxetane-3-carbothioamide
CAS Number2172037-95-3
PubChem CID165573375
IUPAC Name3-methyloxetane-3-carbothioamide
Molecular FormulaC5H9NOS
Molecular Weight131.20
XLogP-0.3
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity120
SMILES
CC1(COC1)C(=S)N
InChI
InChI=1S/C5H9NOS/c1-5(4(6)8)2-7-3-5/h2-3H2,1H3,(H2,6,8)
InChIKey
UTFVGYLNIOHLMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyloxetane-3-carbothioamide
CAS: 2172037-95-3
CID: 165573375
Formula: C5H9NOS
MW: 131.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.20
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass131.04048508
Monoisotopic Mass131.04048508
Topological Polar Surface Area67.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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264560-013-Bromomethyl-3-methyloxetane
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