EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VHF51F4YIW
EPA CompTox	DTXSID30147932

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VHF51F4YIW

EPA CompTox

DTXSID30147932


InChI Key	BAEWLQWSDPXZDM-UHFFFAOYSA-N
Smiles	CN(C)CCSSCCN(C)C
InChI	InChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3

InChI Key

BAEWLQWSDPXZDM-UHFFFAOYSA-N

Smiles

CN(C)CCSSCCN(C)C

InChI

InChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3

Property Name	Value
Molecular Formula	C8H20N2S2
Molecular Weight	208.11
AlogP	1.49
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	6.48
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H20N2S2

Molecular Weight

208.11

AlogP

1.49

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

7.0

Polar Surface Area

6.48

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1072-11-3
NORMAN SUSDAT
FDA SRS	VHF51F4YIW
PubChem	28485
ChemSpider	26501.0

Resources

Reference

CAS NUMBER

1072-11-3

NORMAN SUSDAT

FDA SRS

VHF51F4YIW

PubChem

28485

ChemSpider

26501.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N,N-TETRAMETHYLCYSTAMINE

Structure

Physicochemical Descriptors

Cross References