2-carbamothioylsulfanylethyl carbamodithioate;ethene

C6H12N2S4 — CID 157163681

IUPAC2-carbamothioylsulfanylethyl carbamodithioate;ethene
SMILESC=C.NC(=S)SCCSC(N)=S
InChIInChI=1S/C4H8N2S4.C2H4/c5-3(7)9-1-2-10-4(6)8;1-2/h1-2H2,(H2,5,7)(H2,6,8);1-2H2
InChIKeyAMQXGZPTBFFECL-UHFFFAOYSA-N
MW240.44 g/mol
LogP1.74
Rot. Bonds3

About 2-carbamothioylsulfanylethyl carbamodithioate;ethene

2-carbamothioylsulfanylethyl carbamodithioate;ethene (PubChem CID 157163681) has the molecular formula C6H12N2S4 and a molecular weight of 240.44 g/mol. Its IUPAC name is 2-carbamothioylsulfanylethyl carbamodithioate;ethene.

Molecular Properties

Compound Name2-carbamothioylsulfanylethyl carbamodithioate;ethene
PubChem CID157163681
Molecular FormulaC6H12N2S4
Molecular Weight240.44 g/mol
Exact Mass239.99
IUPAC Name2-carbamothioylsulfanylethyl carbamodithioate;ethene
SMILESC=C.NC(=S)SCCSC(N)=S
InChIInChI=1S/C4H8N2S4.C2H4/c5-3(7)9-1-2-10-4(6)8;1-2/h1-2H2,(H2,5,7)(H2,6,8);1-2H2
InChIKeyAMQXGZPTBFFECL-UHFFFAOYSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioylsulfanylbutyl carbamodithioate;copper
CID 87342350
copper;2-hydroxyethyl carbamodithioate
CID 160591055
CID 158814138
CID 158814138
methanol;propyl carbamodithioate
CID 174248667
magnesium;hydride;propyl carbamodithioate
CID 174927157
3-oxopropyl carbamodithioate
CID 55290322
CID 159121999
CID 159121999
heptyl carbamodithioate
CID 3738854
sodium;hydride;octyl carbamodithioate
CID 175140209
(3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate
CID 5138290
4-(2-hydroxyphenyl)butyl carbamodithioate
CID 174875461
propyl carbamodithioate;1H-pyrimidine-2,4-dione
CID 158079021

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioylsulfanylethyl carbamodithioate;ethene?
The IUPAC name of 2-carbamothioylsulfanylethyl carbamodithioate;ethene (CID 157163681) is 2-carbamothioylsulfanylethyl carbamodithioate;ethene.
What is the SMILES notation for 2-carbamothioylsulfanylethyl carbamodithioate;ethene?
The canonical SMILES for 2-carbamothioylsulfanylethyl carbamodithioate;ethene is C=C.NC(=S)SCCSC(N)=S.
What is the InChIKey of 2-carbamothioylsulfanylethyl carbamodithioate;ethene?
The InChIKey is AMQXGZPTBFFECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.C2H4/c5-3(7)9-1-2-10-4(6)8;1-2/h1-2H2,(H2,5,7)(H2,6,8);1-2H2.
What are the key properties of 2-carbamothioylsulfanylethyl carbamodithioate;ethene?
2-carbamothioylsulfanylethyl carbamodithioate;ethene has a molecular weight of 240.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioylsulfanylethyl carbamodithioate;ethene is sourced from PubChem (CID 157163681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).