2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine

C7H14N2S2 — CID 148682528

IUPAC2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine
SMILESCCC(=NSC)C(C)=NSC
InChIInChI=1S/C7H14N2S2/c1-5-7(9-11-4)6(2)8-10-3/h5H2,1-4H3
InChIKeyNRXBPBPJDJWSPW-UHFFFAOYSA-N
MW190.34 g/mol
LogP2.85
Rot. Bonds4

About 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine

2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine (PubChem CID 148682528) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine
PubChem CID148682528
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine
SMILESCCC(=NSC)C(C)=NSC
InChIInChI=1S/C7H14N2S2/c1-5-7(9-11-4)6(2)8-10-3/h5H2,1-4H3
InChIKeyNRXBPBPJDJWSPW-UHFFFAOYSA-N
XLogP2.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-methylsulfanylbutane-2,3-diimine
CID 129072956
2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine
CID 141894090
3-N-methylsulfanylbutane-2,3-diimine
CID 154038933
N-methylsulfanylbutan-2-imine
CID 173666423
(Z)-N-methylsulfanylbutan-2-imine
CID 126498318
3,4-Dimethyl-1-methylidene-1,2,5-thiadiazole
CID 161447004

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine (CID 148682528) is 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine is CCC(=NSC)C(C)=NSC.
What is the InChIKey of 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine?
The InChIKey is NRXBPBPJDJWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-5-7(9-11-4)6(2)8-10-3/h5H2,1-4H3.
What are the key properties of 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine?
2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine has a molecular weight of 190.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(methylsulfanyl)pentane-2,3-diimine is sourced from PubChem (CID 148682528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).