dimethylcarbamodithioic acid;prop-2-enenitrile

C6H10N2S2 — CID 175475389

IUPACdimethylcarbamodithioic acid;prop-2-enenitrile
SMILESC=CC#N.CN(C)C(=S)S
InChIInChI=1S/C3H7NS2.C3H3N/c1-4(2)3(5)6;1-2-3-4/h1-2H3,(H,5,6);2H,1H2
InChIKeyLDOZDKPTNRIPIL-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.46
Rot. Bonds

About dimethylcarbamodithioic acid;prop-2-enenitrile

dimethylcarbamodithioic acid;prop-2-enenitrile (PubChem CID 175475389) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is dimethylcarbamodithioic acid;prop-2-enenitrile.

Molecular Properties

Compound Namedimethylcarbamodithioic acid;prop-2-enenitrile
PubChem CID175475389
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Namedimethylcarbamodithioic acid;prop-2-enenitrile
SMILESC=CC#N.CN(C)C(=S)S
InChIInChI=1S/C3H7NS2.C3H3N/c1-4(2)3(5)6;1-2-3-4/h1-2H3,(H,5,6);2H,1H2
InChIKeyLDOZDKPTNRIPIL-UHFFFAOYSA-N
XLogP1.46
TPSA27.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 54599967
CID 54599967
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
methanol;prop-2-enenitrile
CID 19700097
cerium;dimethylcarbamodithioic acid
CID 174758864
sodium dimethylcarbamodithioic acid
CID 19877808
disodium;dimethylcarbamodithioic acid;hydride
CID 174615347
prop-2-enenitrile;dihydrate
CID 175150408
CID 163776931
CID 163776931
CID 159057552
CID 159057552
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
acetic acid;prop-2-enenitrile
CID 87100572

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamodithioic acid;prop-2-enenitrile?
The IUPAC name of dimethylcarbamodithioic acid;prop-2-enenitrile (CID 175475389) is dimethylcarbamodithioic acid;prop-2-enenitrile.
What is the SMILES notation for dimethylcarbamodithioic acid;prop-2-enenitrile?
The canonical SMILES for dimethylcarbamodithioic acid;prop-2-enenitrile is C=CC#N.CN(C)C(=S)S.
What is the InChIKey of dimethylcarbamodithioic acid;prop-2-enenitrile?
The InChIKey is LDOZDKPTNRIPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.C3H3N/c1-4(2)3(5)6;1-2-3-4/h1-2H3,(H,5,6);2H,1H2.
What are the key properties of dimethylcarbamodithioic acid;prop-2-enenitrile?
dimethylcarbamodithioic acid;prop-2-enenitrile has a molecular weight of 174.29 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamodithioic acid;prop-2-enenitrile is sourced from PubChem (CID 175475389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).