carbamothioylsulfanyl N-methylcarbamodithioate

C3H6N2S4 — CID 18327140

IUPACcarbamothioylsulfanyl N-methylcarbamodithioate
SMILESCNC(=S)SSC(N)=S
InChIInChI=1S/C3H6N2S4/c1-5-3(7)9-8-2(4)6/h1H3,(H2,4,6)(H,5,7)
InChIKeyQPNQLKYHJADYKG-UHFFFAOYSA-N
MW198.36 g/mol
LogP1.12
Rot. Bonds

About carbamothioylsulfanyl N-methylcarbamodithioate

carbamothioylsulfanyl N-methylcarbamodithioate (PubChem CID 18327140) has the molecular formula C3H6N2S4 and a molecular weight of 198.36 g/mol. Its IUPAC name is carbamothioylsulfanyl N-methylcarbamodithioate.

Molecular Properties

Compound Namecarbamothioylsulfanyl N-methylcarbamodithioate
PubChem CID18327140
Molecular FormulaC3H6N2S4
Molecular Weight198.36 g/mol
Exact Mass197.94
IUPAC Namecarbamothioylsulfanyl N-methylcarbamodithioate
SMILESCNC(=S)SSC(N)=S
InChIInChI=1S/C3H6N2S4/c1-5-3(7)9-8-2(4)6/h1H3,(H2,4,6)(H,5,7)
InChIKeyQPNQLKYHJADYKG-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamothioylsulfanyl N-methylcarbamodithioate?
The IUPAC name of carbamothioylsulfanyl N-methylcarbamodithioate (CID 18327140) is carbamothioylsulfanyl N-methylcarbamodithioate.
What is the SMILES notation for carbamothioylsulfanyl N-methylcarbamodithioate?
The canonical SMILES for carbamothioylsulfanyl N-methylcarbamodithioate is CNC(=S)SSC(N)=S.
What is the InChIKey of carbamothioylsulfanyl N-methylcarbamodithioate?
The InChIKey is QPNQLKYHJADYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S4/c1-5-3(7)9-8-2(4)6/h1H3,(H2,4,6)(H,5,7).
What are the key properties of carbamothioylsulfanyl N-methylcarbamodithioate?
carbamothioylsulfanyl N-methylcarbamodithioate has a molecular weight of 198.36 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioylsulfanyl N-methylcarbamodithioate is sourced from PubChem (CID 18327140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).