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(1-Cyclopropylethyl) thiourea

CAT: 0926-DWB36620-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DWB36620-01Size:100 mg
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CAS Number
1153366-20-1
MDL Number
MFCD12195183
Smiles
CC (C1CC1) NC (=S) N
Molecular Formula
C6H12N2S
Molecular Weight
144.24 g/mol
Controlled
No

Chemical Information

(1-Cyclopropylethyl)thiourea
CAS Number1153366-20-1
PubChem CID43533457
IUPAC Name1-cyclopropylethylthiourea
Molecular FormulaC6H12N2S
Molecular Weight144.24
XLogP0.7
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity120
SMILES
CC(C1CC1)NC(=S)N
InChI
InChI=1S/C6H12N2S/c1-4(5-2-3-5)8-6(7)9/h4-5H,2-3H2,1H3,(H3,7,8,9)
InChIKey
KURWPKAMJYNJSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Cyclopropylethyl)thiourea
CAS: 1153366-20-1
CID: 43533457
Formula: C6H12N2S
MW: 144.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.24
XLogP30.7
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
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes