N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide

C9H18N2O2S2 — CID 165377123

IUPACN,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide
SMILESCC(C)SCC(=O)N(C)N(C)C(=O)CS
InChIInChI=1S/C9H18N2O2S2/c1-7(2)15-6-9(13)11(4)10(3)8(12)5-14/h7,14H,5-6H2,1-4H3
InChIKeySWRZCTMKXAQGQS-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.89
Rot. Bonds4

About N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide

N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide (PubChem CID 165377123) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide
PubChem CID165377123
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC NameN,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide
SMILESCC(C)SCC(=O)N(C)N(C)C(=O)CS
InChIInChI=1S/C9H18N2O2S2/c1-7(2)15-6-9(13)11(4)10(3)8(12)5-14/h7,14H,5-6H2,1-4H3
InChIKeySWRZCTMKXAQGQS-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide?
The IUPAC name of N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide (CID 165377123) is N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide.
What is the SMILES notation for N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide?
The canonical SMILES for N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide is CC(C)SCC(=O)N(C)N(C)C(=O)CS.
What is the InChIKey of N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide?
The InChIKey is SWRZCTMKXAQGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c1-7(2)15-6-9(13)11(4)10(3)8(12)5-14/h7,14H,5-6H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide?
N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide has a molecular weight of 250.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide is sourced from PubChem (CID 165377123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).