(propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate

C6H13NS4 — CID 175883846

IUPAC(propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate
SMILESCC(C)SSSC(=S)N(C)C
InChIInChI=1S/C6H13NS4/c1-5(2)9-11-10-6(8)7(3)4/h5H,1-4H3
InChIKeyDBZLBZQOABKRCT-UHFFFAOYSA-N
MW227.44 g/mol
LogP3.27
Rot. Bonds3

About (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate

(propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate (PubChem CID 175883846) has the molecular formula C6H13NS4 and a molecular weight of 227.44 g/mol. Its IUPAC name is (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate
PubChem CID175883846
Molecular FormulaC6H13NS4
Molecular Weight227.44 g/mol
Exact Mass226.99
IUPAC Name(propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate
SMILESCC(C)SSSC(=S)N(C)C
InChIInChI=1S/C6H13NS4/c1-5(2)9-11-10-6(8)7(3)4/h5H,1-4H3
InChIKeyDBZLBZQOABKRCT-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate (CID 175883846) is (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate is CC(C)SSSC(=S)N(C)C.
What is the InChIKey of (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate?
The InChIKey is DBZLBZQOABKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS4/c1-5(2)9-11-10-6(8)7(3)4/h5H,1-4H3.
What are the key properties of (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate?
(propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate has a molecular weight of 227.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-yldisulfanyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 175883846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).