carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate

C8H16N2S4 — CID 87668781

IUPACcarbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate
SMILESCC(C)C(C)(C)NC(=S)SSC(N)=S
InChIInChI=1S/C8H16N2S4/c1-5(2)8(3,4)10-7(12)14-13-6(9)11/h5H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyAXNMTFLPTJNZOR-UHFFFAOYSA-N
MW268.50 g/mol
LogP2.92
Rot. Bonds2

About carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate

carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate (PubChem CID 87668781) has the molecular formula C8H16N2S4 and a molecular weight of 268.50 g/mol. Its IUPAC name is carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate.

Molecular Properties

Compound Namecarbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate
PubChem CID87668781
Molecular FormulaC8H16N2S4
Molecular Weight268.50 g/mol
Exact Mass268.02
IUPAC Namecarbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate
SMILESCC(C)C(C)(C)NC(=S)SSC(N)=S
InChIInChI=1S/C8H16N2S4/c1-5(2)8(3,4)10-7(12)14-13-6(9)11/h5H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyAXNMTFLPTJNZOR-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.50
LogP ≤ 52.92
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-(2,3-dimethylbutan-2-yl)carbamodithioate?
The IUPAC name of carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate (CID 87668781) is carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate.
What is the SMILES notation for carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate?
The canonical SMILES for carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate is CC(C)C(C)(C)NC(=S)SSC(N)=S.
What is the InChIKey of carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate?
The InChIKey is AXNMTFLPTJNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S4/c1-5(2)8(3,4)10-7(12)14-13-6(9)11/h5H,1-4H3,(H2,9,11)(H,10,12).
What are the key properties of carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate?
carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate has a molecular weight of 268.50 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate is sourced from PubChem (CID 87668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).