2-[[bis(sulfanyl)amino]methyl]aniline

C7H10N2S2 — CID 150809454

IUPAC2-[[bis(sulfanyl)amino]methyl]aniline
SMILESNc1ccccc1CN(S)S
InChIInChI=1S/C7H10N2S2/c8-7-4-2-1-3-6(7)5-9(10)11/h1-4,10-11H,5,8H2
InChIKeyKHOWHLVNBBZPBJ-UHFFFAOYSA-N
MW186.31 g/mol
LogP1.76
Rot. Bonds2

About 2-[[bis(sulfanyl)amino]methyl]aniline

2-[[bis(sulfanyl)amino]methyl]aniline (PubChem CID 150809454) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is 2-[[bis(sulfanyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[bis(sulfanyl)amino]methyl]aniline
PubChem CID150809454
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Name2-[[bis(sulfanyl)amino]methyl]aniline
SMILESNc1ccccc1CN(S)S
InChIInChI=1S/C7H10N2S2/c8-7-4-2-1-3-6(7)5-9(10)11/h1-4,10-11H,5,8H2
InChIKeyKHOWHLVNBBZPBJ-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(sulfanyl)amino]methyl]aniline?
The IUPAC name of 2-[[bis(sulfanyl)amino]methyl]aniline (CID 150809454) is 2-[[bis(sulfanyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[bis(sulfanyl)amino]methyl]aniline?
The canonical SMILES for 2-[[bis(sulfanyl)amino]methyl]aniline is Nc1ccccc1CN(S)S.
What is the InChIKey of 2-[[bis(sulfanyl)amino]methyl]aniline?
The InChIKey is KHOWHLVNBBZPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c8-7-4-2-1-3-6(7)5-9(10)11/h1-4,10-11H,5,8H2.
What are the key properties of 2-[[bis(sulfanyl)amino]methyl]aniline?
2-[[bis(sulfanyl)amino]methyl]aniline has a molecular weight of 186.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(sulfanyl)amino]methyl]aniline is sourced from PubChem (CID 150809454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).