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(Cyclobutylmethyl) thiourea

CAT: 0926-VTB50512-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-VTB50512-01Size:50 mg
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CAS Number
1095505-12-6
MDL Number
MFCD11634958
Smiles
C1CC (C1) CNC (=S) N
Molecular Formula
C6H12N2S
Molecular Weight
144.24 g/mol
Controlled
No

Chemical Information

(Cyclobutylmethyl)thiourea
CAS Number1095505-12-6
PubChem CID43298714
IUPAC Namecyclobutylmethylthiourea
Molecular FormulaC6H12N2S
Molecular Weight144.24
XLogP0.9
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity110
SMILES
C1CC(C1)CNC(=S)N
InChI
InChI=1S/C6H12N2S/c7-6(9)8-4-5-2-1-3-5/h5H,1-4H2,(H3,7,8,9)
InChIKey
PPCXHDOVGOVRBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Cyclobutylmethyl)thiourea
CAS: 1095505-12-6
CID: 43298714
Formula: C6H12N2S
MW: 144.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.24
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass144.07211956
Monoisotopic Mass144.07211956
Topological Polar Surface Area70.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity110
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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