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N-Propylphosphorothioic Triamide

CAT: 0572-TRC-P833705-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P833705-1GSize:1 g
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CAS Number
916809-14-8
Synonyms
N-n-Propylthiophosphoric triamide
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CCCNP(=S)(N)N
Molecular Formula
C3 H12 N3 P S
Molecular Weight
153.1862
InChI
InChI=1S/C3H12N3PS/c1-2-3-6-7(4,5)8/h2-3H2,1H3,(H5,4,5,6,8)
Additionnal Information
IUPAC name: N-diaminophosphinothioylpropan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-propylphosphorothioic triamide
CAS Number916809-14-8
PubChem CID56623889
IUPAC NameN-diaminophosphinothioylpropan-1-amine
Molecular FormulaC3H12N3PS
Molecular Weight153.19
XLogP0.3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
CCCNP(=S)(N)N
InChI
InChI=1S/C3H12N3PS/c1-2-3-6-7(4,5)8/h2-3H2,1H3,(H5,4,5,6,8)
InChIKey
MPOFVZMCKSOGHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-propylphosphorothioic triamide
CAS: 916809-14-8
CID: 56623889
Formula: C3H12N3PS
MW: 153.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.19
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass153.04895557
Monoisotopic Mass153.04895557
Topological Polar Surface Area96.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.7
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

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