thiophen-3-yl N,N-dimethylcarbamodithioate

C7H9NS3 — CID 819108

IUPACthiophen-3-yl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccsc1
InChIInChI=1S/C7H9NS3/c1-8(2)7(9)11-6-3-4-10-5-6/h3-5H,1-2H3
InChIKeySBHXHHFCPGGXCY-UHFFFAOYSA-N
MW203.36 g/mol
LogP2.69
Rot. Bonds1

About thiophen-3-yl N,N-dimethylcarbamodithioate

thiophen-3-yl N,N-dimethylcarbamodithioate (PubChem CID 819108) has the molecular formula C7H9NS3 and a molecular weight of 203.36 g/mol. Its IUPAC name is thiophen-3-yl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namethiophen-3-yl N,N-dimethylcarbamodithioate
PubChem CID819108
Molecular FormulaC7H9NS3
Molecular Weight203.36 g/mol
Exact Mass202.99
IUPAC Namethiophen-3-yl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccsc1
InChIInChI=1S/C7H9NS3/c1-8(2)7(9)11-6-3-4-10-5-6/h3-5H,1-2H3
InChIKeySBHXHHFCPGGXCY-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 thiophen-3-yl N,N-dimethylcarbamodithioate?
The IUPAC name of thiophen-3-yl N,N-dimethylcarbamodithioate (CID 819108) is thiophen-3-yl N,N-dimethylcarbamodithioate.
What is the SMILES notation for thiophen-3-yl N,N-dimethylcarbamodithioate?
The canonical SMILES for thiophen-3-yl N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1ccsc1.
What is the InChIKey of thiophen-3-yl N,N-dimethylcarbamodithioate?
The InChIKey is SBHXHHFCPGGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS3/c1-8(2)7(9)11-6-3-4-10-5-6/h3-5H,1-2H3.
What are the key properties of thiophen-3-yl N,N-dimethylcarbamodithioate?
thiophen-3-yl N,N-dimethylcarbamodithioate has a molecular weight of 203.36 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 819108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).