2-(2-sulfanylethyl)guanidine;hydrobromide

C3H10BrN3S — CID 53426976

IUPAC2-(2-sulfanylethyl)guanidine;hydrobromide
SMILESBr.NC(N)=NCCS
InChIInChI=1S/C3H9N3S.BrH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H
InChIKeyLXVXSQZIJYNERR-UHFFFAOYSA-N
MW200.10 g/mol
LogP-0.23
Rot. Bonds2

About 2-(2-sulfanylethyl)guanidine;hydrobromide

2-(2-sulfanylethyl)guanidine;hydrobromide (PubChem CID 53426976) has the molecular formula C3H10BrN3S and a molecular weight of 200.10 g/mol. Its IUPAC name is 2-(2-sulfanylethyl)guanidine;hydrobromide.

Molecular Properties

Compound Name2-(2-sulfanylethyl)guanidine;hydrobromide
PubChem CID53426976
Molecular FormulaC3H10BrN3S
Molecular Weight200.10 g/mol
Exact Mass198.98
IUPAC Name2-(2-sulfanylethyl)guanidine;hydrobromide
SMILESBr.NC(N)=NCCS
InChIInChI=1S/C3H9N3S.BrH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H
InChIKeyLXVXSQZIJYNERR-UHFFFAOYSA-N
XLogP-0.23
TPSA64.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine
CID 91280043
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-(4-aminobutyl)guanidine
CID 22560045
2-(4-iodobutyl)guanidine
CID 155000477
2-(aminomethyl)guanidine
CID 54483546
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine
CID 90967622
2-(3-hydroxyiminopropyl)guanidine
CID 86698933
3-(diaminomethylideneamino)propanoate
CID 19020673

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethyl)guanidine;hydrobromide?
The IUPAC name of 2-(2-sulfanylethyl)guanidine;hydrobromide (CID 53426976) is 2-(2-sulfanylethyl)guanidine;hydrobromide.
What is the SMILES notation for 2-(2-sulfanylethyl)guanidine;hydrobromide?
The canonical SMILES for 2-(2-sulfanylethyl)guanidine;hydrobromide is Br.NC(N)=NCCS.
What is the InChIKey of 2-(2-sulfanylethyl)guanidine;hydrobromide?
The InChIKey is LXVXSQZIJYNERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.BrH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H.
What are the key properties of 2-(2-sulfanylethyl)guanidine;hydrobromide?
2-(2-sulfanylethyl)guanidine;hydrobromide has a molecular weight of 200.10 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethyl)guanidine;hydrobromide is sourced from PubChem (CID 53426976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).