propyl N,N-dipropylcarbamodithioate

C10H21NS2 — CID 519629

IUPACpropyl N,N-dipropylcarbamodithioate
SMILESCCCSC(=S)N(CCC)CCC
InChIInChI=1S/C10H21NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
InChIKeyIQMQTTJSYGOQRS-UHFFFAOYSA-N
MW219.42 g/mol
LogP3.54
Rot. Bonds6

About propyl N,N-dipropylcarbamodithioate

propyl N,N-dipropylcarbamodithioate (PubChem CID 519629) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is propyl N,N-dipropylcarbamodithioate.

Molecular Properties

Compound Namepropyl N,N-dipropylcarbamodithioate
PubChem CID519629
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Namepropyl N,N-dipropylcarbamodithioate
SMILESCCCSC(=S)N(CCC)CCC
InChIInChI=1S/C10H21NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
InChIKeyIQMQTTJSYGOQRS-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 53.54
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 propyl N,N-dipropylcarbamodithioate?
The IUPAC name of propyl N,N-dipropylcarbamodithioate (CID 519629) is propyl N,N-dipropylcarbamodithioate.
What is the SMILES notation for propyl N,N-dipropylcarbamodithioate?
The canonical SMILES for propyl N,N-dipropylcarbamodithioate is CCCSC(=S)N(CCC)CCC.
What is the InChIKey of propyl N,N-dipropylcarbamodithioate?
The InChIKey is IQMQTTJSYGOQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of propyl N,N-dipropylcarbamodithioate?
propyl N,N-dipropylcarbamodithioate has a molecular weight of 219.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N-dipropylcarbamodithioate is sourced from PubChem (CID 519629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).