N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline

C16H18N3PS2 — CID 134912323

IUPACN,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline
SMILESCSC1=NN(c2ccccc2)P(c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C16H18N3PS2/c1-18(2)13-9-11-15(12-10-13)20-19(17-16(21-3)22-20)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeySONZGNGKQUDMLK-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.58
Rot. Bonds3

About N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline

N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline (PubChem CID 134912323) has the molecular formula C16H18N3PS2 and a molecular weight of 347.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline
PubChem CID134912323
Molecular FormulaC16H18N3PS2
Molecular Weight347.45 g/mol
Exact Mass347.07
IUPAC NameN,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline
SMILESCSC1=NN(c2ccccc2)P(c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C16H18N3PS2/c1-18(2)13-9-11-15(12-10-13)20-19(17-16(21-3)22-20)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeySONZGNGKQUDMLK-UHFFFAOYSA-N
XLogP4.58
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(3-phenyl-2H-1,3,4-thiadiazol-5-yl)diazene
CID 327010
Hydrazine, 1,2-dimethyl-1,2-diphenyl-
CID 139873
[methyl(phenyl)carbamothioyl] N-methyl-N-phenylcarbamodithioate
CID 10991204
1,3,4-Thiadiazole-2(3H)-thione, 5,5'-dithiobis(3-phenyl-
CID 12263396
3,4-Diphenyl-1,6,3,4-dithiadiazepane
CID 71425824
3,4-Diphenyl-1,3,4-thiadiazolidine
CID 71425825
N-[dimethylamino(phenyl)phosphanyl]-N-methylaniline
CID 134897418
1,3,4-Thiadiazole-2(3H)-thione, 5-(methylthio)-3-phenyl-
CID 12263377
5-methylsulfanyl-3-phenyl-2H-1,3,4-thiadiazole
CID 20296820
3-phenyl-2H-1,3,4-thiadiazole-2-thiol
CID 57305229
3-phenyl-2H-1,3,4-thiadiazole
CID 57622629
4-[[4-(dimethylamino)phenyl]-methylphosphanyl]-N,N-dimethylaniline
CID 70963428

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline (CID 134912323) is N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline is CSC1=NN(c2ccccc2)P(c2ccc(N(C)C)cc2)S1.
What is the InChIKey of N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline?
The InChIKey is SONZGNGKQUDMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N3PS2/c1-18(2)13-9-11-15(12-10-13)20-19(17-16(21-3)22-20)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline?
N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline has a molecular weight of 347.45 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline is sourced from PubChem (CID 134912323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).