5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine

C14H22N3PS2 — CID 15761682

IUPAC5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine
SMILESCSC1=NN(c2ccccc2)P(N(C(C)C)C(C)C)S1
InChIInChI=1S/C14H22N3PS2/c1-11(2)16(12(3)4)18-17(15-14(19-5)20-18)13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeyBIFDQSKLEMFGDC-UHFFFAOYSA-N
MW327.46 g/mol
LogP5.22
Rot. Bonds4

About 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine

5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine (PubChem CID 15761682) has the molecular formula C14H22N3PS2 and a molecular weight of 327.46 g/mol. Its IUPAC name is 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine
PubChem CID15761682
Molecular FormulaC14H22N3PS2
Molecular Weight327.46 g/mol
Exact Mass327.10
IUPAC Name5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine
SMILESCSC1=NN(c2ccccc2)P(N(C(C)C)C(C)C)S1
InChIInChI=1S/C14H22N3PS2/c1-11(2)16(12(3)4)18-17(15-14(19-5)20-18)13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeyBIFDQSKLEMFGDC-UHFFFAOYSA-N
XLogP5.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.46
LogP ≤ 55.22
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

3,3-Bis(1-methylethyl)-1-phenyl-1-triazene
CID 101416
2-Chloro-5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 12516348
N,N-dimethyl-4-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-yl)aniline
CID 134912323
5-methylsulfanyl-3-phenyl-2H-1,3,4-thiadiazole
CID 20296820
N,N-bis(diethylamino)aniline;hydrochloride
CID 68124767
N,N-diethyl-5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine
CID 12516349
2-Chloro-5-methylsulfanyl-3-phenyl-2-sulfanylidene-1,3,4,2lambda5-thiadiazaphosphole
CID 12516369
N,N-diethyl-5-methylsulfanyl-3-phenyl-2-sulfanylidene-1,3,4,2lambda5-thiadiazaphosphol-2-amine
CID 15761707
N,N-bis(diethylamino)aniline
CID 68124768
CID 101704855
CID 101704855
CID 101704856
CID 101704856
CID 101704857
CID 101704857

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine?
The IUPAC name of 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine (CID 15761682) is 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine.
What is the SMILES notation for 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine?
The canonical SMILES for 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine is CSC1=NN(c2ccccc2)P(N(C(C)C)C(C)C)S1.
What is the InChIKey of 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine?
The InChIKey is BIFDQSKLEMFGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N3PS2/c1-11(2)16(12(3)4)18-17(15-14(19-5)20-18)13-9-7-6-8-10-13/h6-12H,1-5H3.
What are the key properties of 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine?
5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine has a molecular weight of 327.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-phenyl-N,N-di(propan-2-yl)-1,3,4,2-thiadiazaphosphol-2-amine is sourced from PubChem (CID 15761682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).