[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium

C8H9Cl2N2S+ — CID 3733113

IUPAC[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
SMILESNC(=[NH2+])SCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12)/p+1
InChIKeyPHDJNQQXOMCMRL-UHFFFAOYSA-O
MW236.15 g/mol
LogP1.30
Rot. Bonds2

About [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium

[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium (PubChem CID 3733113) has the molecular formula C8H9Cl2N2S+ and a molecular weight of 236.15 g/mol. Its IUPAC name is [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
PubChem CID3733113
Molecular FormulaC8H9Cl2N2S+
Molecular Weight236.15 g/mol
Exact Mass234.99
IUPAC Name[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
SMILESNC(=[NH2+])SCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12)/p+1
InChIKeyPHDJNQQXOMCMRL-UHFFFAOYSA-O
XLogP1.30
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl N'-butylcarbamimidothioate
CID 8776217
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
[amino-[(4-chloronaphthalen-1-yl)methylsulfanyl]methylidene]azanium chloride
CID 162331828
(2Z)-2-[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]-3-oxobutanenitrile
CID 22302089
S-[(2,6-dichlorophenyl)methyl] 3-[(2,6-dichlorophenyl)methylsulfanyl]propanethioate
CID 12816884
(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776421
1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 51131579
1-chloro-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylmethyl]-3-methylbenzene
CID 129096900
(2-chloro-6-fluorophenyl)methyl N-(diaminomethylidene)carbamimidothioate
CID 59411815
(2-chloro-6-fluorophenyl)methyl N'-benzylcarbamimidothioate
CID 8776074
2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
CID 115659330

Frequently Asked Questions

What is the IUPAC name of [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium?
The IUPAC name of [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium (CID 3733113) is [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium.
What is the SMILES notation for [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium?
The canonical SMILES for [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium is NC(=[NH2+])SCc1c(Cl)cccc1Cl.
What is the InChIKey of [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium?
The InChIKey is PHDJNQQXOMCMRL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8Cl2N2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12)/p+1.
What are the key properties of [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium?
[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium has a molecular weight of 236.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium is sourced from PubChem (CID 3733113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).