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N-Propylthiourea

CAT: 0127-OR24418-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR24418-01Size:250 mg
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CAS Number
927-67-3
MDL Number
MFCD00041195
Purity
98%
Smiles
CCCNC (=S) N

Chemical Information

Propyl-2-thiourea

Propylthiourea is a member of thioureas.

CAS Number927-67-3
PubChem CID1615208
IUPAC Namepropylthiourea
Molecular FormulaC4H10N2S
Molecular Weight118.20
XLogP0.5
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
CCCNC(=S)N
InChI
InChI=1S/C4H10N2S/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKey
UHGKYJXJYJWDAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl-2-thiourea
CAS: 927-67-3
CID: 1615208
Formula: C4H10N2S
MW: 118.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.20
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass118.05646950
Monoisotopic Mass118.05646950
Topological Polar Surface Area70.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
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