[amino(ethylsulfanyl)methylidene]-methylazanium

C4H11N2S+ — CID 101002214

IUPAC[amino(ethylsulfanyl)methylidene]-methylazanium
SMILESCCS/C(N)=[NH+]/C
InChIInChI=1S/C4H10N2S/c1-3-7-4(5)6-2/h3H2,1-2H3,(H2,5,6)/p+1
InChIKeyWLZHMAWFACZFSM-UHFFFAOYSA-O
MW119.21 g/mol
LogP-1.24
Rot. Bonds1

About [amino(ethylsulfanyl)methylidene]-methylazanium

[amino(ethylsulfanyl)methylidene]-methylazanium (PubChem CID 101002214) has the molecular formula C4H11N2S+ and a molecular weight of 119.21 g/mol. Its IUPAC name is [amino(ethylsulfanyl)methylidene]-methylazanium.

Molecular Properties

Compound Name[amino(ethylsulfanyl)methylidene]-methylazanium
PubChem CID101002214
Molecular FormulaC4H11N2S+
Molecular Weight119.21 g/mol
Exact Mass119.06
IUPAC Name[amino(ethylsulfanyl)methylidene]-methylazanium
SMILESCCS/C(N)=[NH+]/C
InChIInChI=1S/C4H10N2S/c1-3-7-4(5)6-2/h3H2,1-2H3,(H2,5,6)/p+1
InChIKeyWLZHMAWFACZFSM-UHFFFAOYSA-O
XLogP-1.24
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 5-1.24
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

[amino(methylsulfanyl)methylidene]-methylazanium chloride
CID 134867682
[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
S-ethyl carbamothioate
CID 12673087
(Z)-3-ethylsulfanylbut-2-en-2-amine
CID 137400576
ethyl 3-aminopropanedithioate
CID 11108169
ethyl 2-aminoethanimidothioate
CID 58305794
ethyl N'-hexylcarbamimidothioate
CID 154136436
S-ethyl (Z)-3-amino-3-methoxyprop-2-enethioate
CID 88837286
1-ethylsulfanylethenolate
CID 101161982
CID 12591357
CID 12591357
CID 174427975
CID 174427975
propan-2-yl ethylsulfanylformate
CID 130241009

Frequently Asked Questions

What is the IUPAC name of [amino(ethylsulfanyl)methylidene]-methylazanium?
The IUPAC name of [amino(ethylsulfanyl)methylidene]-methylazanium (CID 101002214) is [amino(ethylsulfanyl)methylidene]-methylazanium.
What is the SMILES notation for [amino(ethylsulfanyl)methylidene]-methylazanium?
The canonical SMILES for [amino(ethylsulfanyl)methylidene]-methylazanium is CCS/C(N)=[NH+]/C.
What is the InChIKey of [amino(ethylsulfanyl)methylidene]-methylazanium?
The InChIKey is WLZHMAWFACZFSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2S/c1-3-7-4(5)6-2/h3H2,1-2H3,(H2,5,6)/p+1.
What are the key properties of [amino(ethylsulfanyl)methylidene]-methylazanium?
[amino(ethylsulfanyl)methylidene]-methylazanium has a molecular weight of 119.21 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethylsulfanyl)methylidene]-methylazanium is sourced from PubChem (CID 101002214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).