1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(2-aminoethyldisulfanyl)ethyl]-1-(diaminomethylidene)guanidine

2.1.2 InChI

InChI=1S/C6H16N6S2/c7-1-3-13-14-4-2-11-6(10)12-5(8)9/h1-4,7H2,(H6,8,9,10,11,12)

2.1.3 InChI Key

NKYZZGZZRWZRGV-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Mc001

2.2.2 Depositor-Supplied Synonyms

1. Schembl25799841

2. Glxc-25431

3. Mc001

4. Mc-001

2.3 Create Date

2024-02-03

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₆N₆S₂
Molecular Weight	236.4 g/mol
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	179
Heavy Atom Count	14
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

N-Cystaminyl Biguanide