3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione

C9H14N2S2 — CID 139376702

IUPAC3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(NCCN(C)C)c(=S)c1=S
InChIInChI=1S/C9H14N2S2/c1-6-7(9(13)8(6)12)10-4-5-11(2)3/h10H,4-5H2,1-3H3
InChIKeyCHKVDBNZLPZCKU-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.30
Rot. Bonds4

About 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione

3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 139376702) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID139376702
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(NCCN(C)C)c(=S)c1=S
InChIInChI=1S/C9H14N2S2/c1-6-7(9(13)8(6)12)10-4-5-11(2)3/h10H,4-5H2,1-3H3
InChIKeyCHKVDBNZLPZCKU-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 139376702) is 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione is Cc1c(NCCN(C)C)c(=S)c1=S.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is CHKVDBNZLPZCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-6-7(9(13)8(6)12)10-4-5-11(2)3/h10H,4-5H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 214.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).