propyl N,N-bis(prop-2-enyl)carbamodithioate

C10H17NS2 — CID 22495240

IUPACpropyl N,N-bis(prop-2-enyl)carbamodithioate
SMILESC=CCN(CC=C)C(=S)SCCC
InChIInChI=1S/C10H17NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyHWFJVTZDRBYXSK-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.09
Rot. Bonds6

About propyl N,N-bis(prop-2-enyl)carbamodithioate

propyl N,N-bis(prop-2-enyl)carbamodithioate (PubChem CID 22495240) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is propyl N,N-bis(prop-2-enyl)carbamodithioate.

Molecular Properties

Compound Namepropyl N,N-bis(prop-2-enyl)carbamodithioate
PubChem CID22495240
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Namepropyl N,N-bis(prop-2-enyl)carbamodithioate
SMILESC=CCN(CC=C)C(=S)SCCC
InChIInChI=1S/C10H17NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyHWFJVTZDRBYXSK-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-Allyl-N,N-diethyldithiocarbamate
CID 524151
Propyl 4-prop-2-enylpiperazine-1-carbodithioate
CID 127031805
S-(2-Methylallyl)-N,N-dimethyldithiocarbamate
CID 524150
allyl-N,N-dipropyldithiocarbamate
CID 13021142
propan-2-ylsulfanyl N,N-bis(prop-2-enyl)carbamodithioate
CID 19838568
propyl N,N-bis(2-methylprop-2-enyl)carbamodithioate
CID 21430052
propyl N-(2-methylprop-2-enyl)-N-(2-methylpropyl)carbamodithioate
CID 21430058
propyl N-(2-methylpropyl)-N-prop-2-enylcarbamodithioate
CID 21430066
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
prop-2-enyl N,N-bis(prop-2-enyl)carbamodithioate
CID 85788587
azane;prop-2-enyl N,N-diethylcarbamodithioate
CID 87343206
sodium propyl N,N-bis(prop-2-enyl)carbamodithioate
CID 87989522

Frequently Asked Questions

What is the IUPAC name of propyl N,N-bis(prop-2-enyl)carbamodithioate?
The IUPAC name of propyl N,N-bis(prop-2-enyl)carbamodithioate (CID 22495240) is propyl N,N-bis(prop-2-enyl)carbamodithioate.
What is the SMILES notation for propyl N,N-bis(prop-2-enyl)carbamodithioate?
The canonical SMILES for propyl N,N-bis(prop-2-enyl)carbamodithioate is C=CCN(CC=C)C(=S)SCCC.
What is the InChIKey of propyl N,N-bis(prop-2-enyl)carbamodithioate?
The InChIKey is HWFJVTZDRBYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of propyl N,N-bis(prop-2-enyl)carbamodithioate?
propyl N,N-bis(prop-2-enyl)carbamodithioate has a molecular weight of 215.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N-bis(prop-2-enyl)carbamodithioate is sourced from PubChem (CID 22495240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).