[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine

C4H13N4S+ — CID 159951875

IUPAC[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
SMILESC=C(N)N.CSC(N)=[NH2+]
InChIInChI=1S/C2H6N2S.C2H6N2/c1-5-2(3)4;1-2(3)4/h1H3,(H3,3,4);1,3-4H2/p+1
InChIKeyOCFJJQYWNGMUGY-UHFFFAOYSA-O
MW149.24 g/mol
LogP-2.20
Rot. Bonds

About [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine

[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine (PubChem CID 159951875) has the molecular formula C4H13N4S+ and a molecular weight of 149.24 g/mol. Its IUPAC name is [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine.

Molecular Properties

Compound Name[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
PubChem CID159951875
Molecular FormulaC4H13N4S+
Molecular Weight149.24 g/mol
Exact Mass149.09
IUPAC Name[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
SMILESC=C(N)N.CSC(N)=[NH2+]
InChIInChI=1S/C2H6N2S.C2H6N2/c1-5-2(3)4;1-2(3)4/h1H3,(H3,3,4);1,3-4H2/p+1
InChIKeyOCFJJQYWNGMUGY-UHFFFAOYSA-O
XLogP-2.20
TPSA103.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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]azanium iodide
CID 14325100
[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride
CID 139046400
[amino(methoxysulfanyl)methylidene]azanium
CID 172729899
[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
[amino(propan-2-ylsulfanyl)methylidene]azanium
CID 4218396
methyl carbamodithioate;silver
CID 174849393
(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol
CID 134458019
prop-1-en-2-amine;yttrium
CID 158882655
(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
CID 88850042
(E)-3-amino-2-(hydroxymethyl)-N'-(1-methylsulfanylethenyl)but-2-enimidamide
CID 174250512
2-methyl-1-methylsulfanylprop-1-en-1-amine
CID 130456062
(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
CID 143019199

Frequently Asked Questions

What is the IUPAC name of [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine?
The IUPAC name of [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine (CID 159951875) is [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine.
What is the SMILES notation for [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine?
The canonical SMILES for [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine is C=C(N)N.CSC(N)=[NH2+].
What is the InChIKey of [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine?
The InChIKey is OCFJJQYWNGMUGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N2S.C2H6N2/c1-5-2(3)4;1-2(3)4/h1H3,(H3,3,4);1,3-4H2/p+1.
What are the key properties of [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine?
[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine has a molecular weight of 149.24 g/mol, XLogP of -2.20, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine is sourced from PubChem (CID 159951875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).