bismuthane;methyl N-methylcarbamodithioate

C3H10BiNS2 — CID 174491363

IUPACbismuthane;methyl N-methylcarbamodithioate
SMILESCNC(=S)SC.[BiH3]
InChIInChI=1S/C3H7NS2.Bi.3H/c1-4-3(5)6-2;;;;/h1-2H3,(H,4,5);;;;
InChIKeyUUQRZJGNBLTIMQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP-0.33
Rot. Bonds

About bismuthane;methyl N-methylcarbamodithioate

bismuthane;methyl N-methylcarbamodithioate (PubChem CID 174491363) has the molecular formula C3H10BiNS2 and a molecular weight of 333.23 g/mol. Its IUPAC name is bismuthane;methyl N-methylcarbamodithioate.

Molecular Properties

Compound Namebismuthane;methyl N-methylcarbamodithioate
PubChem CID174491363
Molecular FormulaC3H10BiNS2
Molecular Weight333.23 g/mol
Exact Mass333.01
IUPAC Namebismuthane;methyl N-methylcarbamodithioate
SMILESCNC(=S)SC.[BiH3]
InChIInChI=1S/C3H7NS2.Bi.3H/c1-4-3(5)6-2;;;;/h1-2H3,(H,4,5);;;;
InChIKeyUUQRZJGNBLTIMQ-UHFFFAOYSA-N
XLogP-0.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;methyl N-methylcarbamodithioate
CID 175243197
(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
CID 3003739
methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 2754715
CID 161382397
CID 161382397
tert-butyl N-methylcarbamodithioate
CID 11744961
N-methylmethanamine;O-methyl methylsulfanylmethanethioate
CID 172774796
bis(methyl N-(propylideneamino)carbamodithioate);palladium
CID 50910049
methyl N-(3-trifluorosilylpropyl)carbamodithioate
CID 174136031
methyl N-(2-methylsulfanylethyl)carbamodithioate
CID 20526585
1,3-dimethylthiourea
CID 159246165
2,4-dioxopentan-3-yl N-methylcarbamodithioate
CID 139215593
N-methylethanethioamide;hydroiodide
CID 74891920

Frequently Asked Questions

What is the IUPAC name of bismuthane;methyl N-methylcarbamodithioate?
The IUPAC name of bismuthane;methyl N-methylcarbamodithioate (CID 174491363) is bismuthane;methyl N-methylcarbamodithioate.
What is the SMILES notation for bismuthane;methyl N-methylcarbamodithioate?
The canonical SMILES for bismuthane;methyl N-methylcarbamodithioate is CNC(=S)SC.[BiH3].
What is the InChIKey of bismuthane;methyl N-methylcarbamodithioate?
The InChIKey is UUQRZJGNBLTIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.Bi.3H/c1-4-3(5)6-2;;;;/h1-2H3,(H,4,5);;;;.
What are the key properties of bismuthane;methyl N-methylcarbamodithioate?
bismuthane;methyl N-methylcarbamodithioate has a molecular weight of 333.23 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;methyl N-methylcarbamodithioate is sourced from PubChem (CID 174491363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).