ethyl N,N-bis(2-methylpropyl)carbamodithioate

C11H23NS2 — CID 10059900

IUPACethyl N,N-bis(2-methylpropyl)carbamodithioate
SMILESCCSC(=S)N(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NS2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyYBEHHJAXXCTRDG-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.64
Rot. Bonds5

About ethyl N,N-bis(2-methylpropyl)carbamodithioate

ethyl N,N-bis(2-methylpropyl)carbamodithioate (PubChem CID 10059900) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is ethyl N,N-bis(2-methylpropyl)carbamodithioate.

Molecular Properties

Compound Nameethyl N,N-bis(2-methylpropyl)carbamodithioate
PubChem CID10059900
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Nameethyl N,N-bis(2-methylpropyl)carbamodithioate
SMILESCCSC(=S)N(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NS2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyYBEHHJAXXCTRDG-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl N,N-bis(2-methylpropyl)carbamodithioate?
The IUPAC name of ethyl N,N-bis(2-methylpropyl)carbamodithioate (CID 10059900) is ethyl N,N-bis(2-methylpropyl)carbamodithioate.
What is the SMILES notation for ethyl N,N-bis(2-methylpropyl)carbamodithioate?
The canonical SMILES for ethyl N,N-bis(2-methylpropyl)carbamodithioate is CCSC(=S)N(CC(C)C)CC(C)C.
What is the InChIKey of ethyl N,N-bis(2-methylpropyl)carbamodithioate?
The InChIKey is YBEHHJAXXCTRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl N,N-bis(2-methylpropyl)carbamodithioate?
ethyl N,N-bis(2-methylpropyl)carbamodithioate has a molecular weight of 233.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis(2-methylpropyl)carbamodithioate is sourced from PubChem (CID 10059900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).