2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol

C18H20N2S2 — CID 136866170

IUPAC2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
SMILESSc1ccccc1/C=N/CCCC/N=C/c1ccccc1S
InChIInChI=1S/C18H20N2S2/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22/h1-4,7-10,13-14,21-22H,5-6,11-12H2/b19-13+,20-14+
InChIKeyRLFNCAVLXGPPRU-IWGRKNQJSA-N
MW328.51 g/mol
LogP4.58
Rot. Bonds7

About 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol

2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol (PubChem CID 136866170) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol.

Molecular Properties

Compound Name2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
PubChem CID136866170
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
SMILESSc1ccccc1/C=N/CCCC/N=C/c1ccccc1S
InChIInChI=1S/C18H20N2S2/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22/h1-4,7-10,13-14,21-22H,5-6,11-12H2/b19-13+,20-14+
InChIKeyRLFNCAVLXGPPRU-IWGRKNQJSA-N
XLogP4.58
TPSA24.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2,2-dimethyl-3-[(2-sulfanylphenyl)methylideneamino]propyl]iminomethyl]benzenethiol
CID 136729251
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
1-(2-bromophenyl)-N-butylmethanimine
CID 67388948
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol?
The IUPAC name of 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol (CID 136866170) is 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol.
What is the SMILES notation for 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol?
The canonical SMILES for 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol is Sc1ccccc1/C=N/CCCC/N=C/c1ccccc1S.
What is the InChIKey of 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol?
The InChIKey is RLFNCAVLXGPPRU-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2S2/c21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22/h1-4,7-10,13-14,21-22H,5-6,11-12H2/b19-13+,20-14+.
What are the key properties of 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol?
2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol has a molecular weight of 328.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol is sourced from PubChem (CID 136866170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).