EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1067910

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1067910


InChI Key	TZMRQBUUKHDXFH-UHFFFAOYSA-N
Smiles	CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1
InChI	InChI=1S/C15H30N6S2/c1-9-21(10-2)11-16-12(22-19-14(3,4)5)18-13(17-11)23-20-15(6,7)8/h19-20H,9-10H2,1-8H3

InChI Key

TZMRQBUUKHDXFH-UHFFFAOYSA-N

Smiles

CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1

InChI

InChI=1S/C15H30N6S2/c1-9-21(10-2)11-16-12(22-19-14(3,4)5)18-13(17-11)23-20-15(6,7)8/h19-20H,9-10H2,1-8H3

Property Name	Value
Molecular Formula	C15H30N6S2
Molecular Weight	358.2
AlogP	3.51
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	65.97
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C15H30N6S2

Molecular Weight

358.2

AlogP

3.51

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

65.97

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	35302-16-0
NORMAN SUSDAT
PubChem	118806
ChemSpider	106163.0

Resources

Reference

CAS NUMBER

35302-16-0

NORMAN SUSDAT

PubChem

118806

ChemSpider

106163.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1,3,5-TRIAZINE-2,4-DISULFENAMIDE, 6-(DIETHYLAMINO)-N,N'-BIS(1,1-DIMETHYLETHYL)-

Structure

Physicochemical Descriptors

Cross References