bis(carbamodithioic acid);2-methylprop-1-ene

C6H14N2S4 — CID 88714741

IUPACbis(carbamodithioic acid);2-methylprop-1-ene
SMILESC=C(C)C.NC(=S)S.NC(=S)S
InChIInChI=1S/C4H8.2CH3NS2/c1-4(2)3;2*2-1(3)4/h1H2,2-3H3;2*(H3,2,3,4)
InChIKeyQVKDWRLMKQNRIR-UHFFFAOYSA-N
MW242.46 g/mol
LogP1.90
Rot. Bonds

About bis(carbamodithioic acid);2-methylprop-1-ene

bis(carbamodithioic acid);2-methylprop-1-ene (PubChem CID 88714741) has the molecular formula C6H14N2S4 and a molecular weight of 242.46 g/mol. Its IUPAC name is bis(carbamodithioic acid);2-methylprop-1-ene.

Molecular Properties

Compound Namebis(carbamodithioic acid);2-methylprop-1-ene
PubChem CID88714741
Molecular FormulaC6H14N2S4
Molecular Weight242.46 g/mol
Exact Mass242.00
IUPAC Namebis(carbamodithioic acid);2-methylprop-1-ene
SMILESC=C(C)C.NC(=S)S.NC(=S)S
InChIInChI=1S/C4H8.2CH3NS2/c1-4(2)3;2*2-1(3)4/h1H2,2-3H3;2*(H3,2,3,4)
InChIKeyQVKDWRLMKQNRIR-UHFFFAOYSA-N
XLogP1.90
TPSA52.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.46
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(carbamodithioic acid);2-methylprop-1-ene?
The IUPAC name of bis(carbamodithioic acid);2-methylprop-1-ene (CID 88714741) is bis(carbamodithioic acid);2-methylprop-1-ene.
What is the SMILES notation for bis(carbamodithioic acid);2-methylprop-1-ene?
The canonical SMILES for bis(carbamodithioic acid);2-methylprop-1-ene is C=C(C)C.NC(=S)S.NC(=S)S.
What is the InChIKey of bis(carbamodithioic acid);2-methylprop-1-ene?
The InChIKey is QVKDWRLMKQNRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2CH3NS2/c1-4(2)3;2*2-1(3)4/h1H2,2-3H3;2*(H3,2,3,4).
What are the key properties of bis(carbamodithioic acid);2-methylprop-1-ene?
bis(carbamodithioic acid);2-methylprop-1-ene has a molecular weight of 242.46 g/mol, XLogP of 1.90, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbamodithioic acid);2-methylprop-1-ene is sourced from PubChem (CID 88714741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).