N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide

C5H12N2S2 — CID 164990479

IUPACN-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESCC(=NCS)N(C)CS
InChIInChI=1S/C5H12N2S2/c1-5(6-3-8)7(2)4-9/h8-9H,3-4H2,1-2H3
InChIKeyOADWGEZXSQVRCH-UHFFFAOYSA-N
MW164.30 g/mol
LogP1.11
Rot. Bonds2

About N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide

N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide (PubChem CID 164990479) has the molecular formula C5H12N2S2 and a molecular weight of 164.30 g/mol. Its IUPAC name is N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide
PubChem CID164990479
Molecular FormulaC5H12N2S2
Molecular Weight164.30 g/mol
Exact Mass164.04
IUPAC NameN-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESCC(=NCS)N(C)CS
InChIInChI=1S/C5H12N2S2/c1-5(6-3-8)7(2)4-9/h8-9H,3-4H2,1-2H3
InChIKeyOADWGEZXSQVRCH-UHFFFAOYSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N,N'-trimethyl-2-sulfanylethanimidamide
CID 45087521
N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812811
N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812846
N-[1-(dimethylamino)ethylidene]methanethioamide
CID 143442598
N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164990480
methyl (NE)-N-[1-(dimethylamino)ethylidene]carbamodithioate
CID 177619823

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The IUPAC name of N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide (CID 164990479) is N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide.
What is the SMILES notation for N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The canonical SMILES for N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide is CC(=NCS)N(C)CS.
What is the InChIKey of N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The InChIKey is OADWGEZXSQVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S2/c1-5(6-3-8)7(2)4-9/h8-9H,3-4H2,1-2H3.
What are the key properties of N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide has a molecular weight of 164.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide is sourced from PubChem (CID 164990479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).