4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol

C10H24N2S2 — CID 91491511

IUPAC4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol
SMILESCCN(CC)CC(S)C(CS)N(C)C
InChIInChI=1S/C10H24N2S2/c1-5-12(6-2)7-10(14)9(8-13)11(3)4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyYSDHKIHLGLJHLW-UHFFFAOYSA-N
MW236.45 g/mol
LogP1.49
Rot. Bonds7

About 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol

4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol (PubChem CID 91491511) has the molecular formula C10H24N2S2 and a molecular weight of 236.45 g/mol. Its IUPAC name is 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol.

Molecular Properties

Compound Name4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol
PubChem CID91491511
Molecular FormulaC10H24N2S2
Molecular Weight236.45 g/mol
Exact Mass236.14
IUPAC Name4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol
SMILESCCN(CC)CC(S)C(CS)N(C)C
InChIInChI=1S/C10H24N2S2/c1-5-12(6-2)7-10(14)9(8-13)11(3)4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyYSDHKIHLGLJHLW-UHFFFAOYSA-N
XLogP1.49
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol?
The IUPAC name of 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol (CID 91491511) is 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol.
What is the SMILES notation for 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol?
The canonical SMILES for 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol is CCN(CC)CC(S)C(CS)N(C)C.
What is the InChIKey of 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol?
The InChIKey is YSDHKIHLGLJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2/c1-5-12(6-2)7-10(14)9(8-13)11(3)4/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol?
4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol has a molecular weight of 236.45 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-(dimethylamino)butane-1,3-dithiol is sourced from PubChem (CID 91491511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).