N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide

C18H22N4S2 — CID 135012676

IUPACN'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide
SMILESN/C(CCSc1ccccc1)=N\N=C(/N)CCSc1ccccc1
InChIInChI=1S/C18H22N4S2/c19-17(11-13-23-15-7-3-1-4-8-15)21-22-18(20)12-14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,21)(H2,20,22)
InChIKeyNBSCALGIKBPCRK-UHFFFAOYSA-N
MW358.54 g/mol
LogP3.98
Rot. Bonds9

About N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide

N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide (PubChem CID 135012676) has the molecular formula C18H22N4S2 and a molecular weight of 358.54 g/mol. Its IUPAC name is N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide.

Molecular Properties

Compound NameN'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide
PubChem CID135012676
Molecular FormulaC18H22N4S2
Molecular Weight358.54 g/mol
Exact Mass358.13
IUPAC NameN'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide
SMILESN/C(CCSc1ccccc1)=N\N=C(/N)CCSc1ccccc1
InChIInChI=1S/C18H22N4S2/c19-17(11-13-23-15-7-3-1-4-8-15)21-22-18(20)12-14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,21)(H2,20,22)
InChIKeyNBSCALGIKBPCRK-UHFFFAOYSA-N
XLogP3.98
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Phenylthio)ethanimidamide hydrochloride
CID 2746028
2-Phenylsulfanylethanimidamide
CID 2746029
4-[1,2-bis(benzenesulfonyl)ethyl]-4H-pyrazole-3,5-diamine
CID 44517063
Phenyl 3-fluoro-3-imino-2-phenylsulfanylpropanimidothioate
CID 123729627
3,6-Bis(2-phenylsulfanylethyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 135012678
3-(2-Fluorophenyl)sulfanylpropanimidamide
CID 28404312
3-(4-Fluorophenyl)sulfanylpropanimidamide
CID 28404441
N'-amino-2-(2-fluorophenyl)sulfanylethanimidamide
CID 66052128
N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide
CID 66072733
N'-amino-2-(2-fluorophenyl)sulfanylethanimidamide
CID 77111569
N'-amino-2-(4-fluorophenyl)sulfanylethanimidamide
CID 77111872
N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide
CID 77112055

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide?
The IUPAC name of N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide (CID 135012676) is N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide.
What is the SMILES notation for N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide?
The canonical SMILES for N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide is N/C(CCSc1ccccc1)=N\N=C(/N)CCSc1ccccc1.
What is the InChIKey of N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide?
The InChIKey is NBSCALGIKBPCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S2/c19-17(11-13-23-15-7-3-1-4-8-15)21-22-18(20)12-14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,21)(H2,20,22).
What are the key properties of N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide?
N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide has a molecular weight of 358.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(1-amino-3-phenylsulfanylpropylidene)amino]-3-phenylsulfanylpropanimidamide is sourced from PubChem (CID 135012676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).