1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide

C13H23N4PS — CID 4058161

IUPAC1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide
SMILESCN(C)/C(=N\c1ccccc1)P(=S)(N(C)C)N(C)C
InChIInChI=1S/C13H23N4PS/c1-15(2)13(14-12-10-8-7-9-11-12)18(19,16(3)4)17(5)6/h7-11H,1-6H3/b14-13+
InChIKeyNTSINIYDAMVBTK-BUHFOSPRSA-N
MW298.40 g/mol
LogP2.67
Rot. Bonds4

About 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide

1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide (PubChem CID 4058161) has the molecular formula C13H23N4PS and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide.

Molecular Properties

Compound Name1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide
PubChem CID4058161
Molecular FormulaC13H23N4PS
Molecular Weight298.40 g/mol
Exact Mass298.14
IUPAC Name1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide
SMILESCN(C)/C(=N\c1ccccc1)P(=S)(N(C)C)N(C)C
InChIInChI=1S/C13H23N4PS/c1-15(2)13(14-12-10-8-7-9-11-12)18(19,16(3)4)17(5)6/h7-11H,1-6H3/b14-13+
InChIKeyNTSINIYDAMVBTK-BUHFOSPRSA-N
XLogP2.67
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phenylbiguanide
CID 4780
N,N-Dimethyl-N'-phenylmethanimidamide
CID 15692
N'-(4-fluorophenyl)-N,N-dimethylmethanimidamide
CID 27509
4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline
CID 2307374
1-[bis(dimethylamino)phosphoryl]-N,N-dimethyl-N'-(4-methylphenyl)methanimidamide
CID 4447937
N-Methyl-N'-phenylcarbodiimide
CID 138144
guanidine, N,N,N',N'-tetramethyl-N''-phenyl-
CID 525262
N,N-Dimethyl-N'-phenylformamidine and methyl iodide
CID 16531
FORMAMIDINE, N,N-DIMETHYL-N'-(p-(DIMETHYLAMINO)PHENYL)-
CID 40843
Methanimidamide, N'-(2-iodophenyl)-N,N-dimethyl-
CID 143064
N'-butyl-N-methyl-N-phenylmethanimidamide
CID 10035442
1-Phenyl-3-trimethylaminopropyl carbodiimide
CID 127620

Frequently Asked Questions

What is the IUPAC name of 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide?
The IUPAC name of 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide (CID 4058161) is 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide.
What is the SMILES notation for 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide?
The canonical SMILES for 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide is CN(C)/C(=N\c1ccccc1)P(=S)(N(C)C)N(C)C.
What is the InChIKey of 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide?
The InChIKey is NTSINIYDAMVBTK-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N4PS/c1-15(2)13(14-12-10-8-7-9-11-12)18(19,16(3)4)17(5)6/h7-11H,1-6H3/b14-13+.
What are the key properties of 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide?
1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide has a molecular weight of 298.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(dimethylamino)phosphinothioyl]-N,N-dimethyl-N'-phenylmethanimidamide is sourced from PubChem (CID 4058161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).