2-[1,2-bis(sulfanyl)ethyl]guanidine

C3H9N3S2 — CID 91116888

IUPAC2-[1,2-bis(sulfanyl)ethyl]guanidine
SMILESNC(N)=NC(S)CS
InChIInChI=1S/C3H9N3S2/c4-3(5)6-2(8)1-7/h2,7-8H,1H2,(H4,4,5,6)
InChIKeyLCJXZPMPYBHLII-UHFFFAOYSA-N
MW151.26 g/mol
LogP-0.55
Rot. Bonds2

About 2-[1,2-bis(sulfanyl)ethyl]guanidine

2-[1,2-bis(sulfanyl)ethyl]guanidine (PubChem CID 91116888) has the molecular formula C3H9N3S2 and a molecular weight of 151.26 g/mol. Its IUPAC name is 2-[1,2-bis(sulfanyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[1,2-bis(sulfanyl)ethyl]guanidine
PubChem CID91116888
Molecular FormulaC3H9N3S2
Molecular Weight151.26 g/mol
Exact Mass151.02
IUPAC Name2-[1,2-bis(sulfanyl)ethyl]guanidine
SMILESNC(N)=NC(S)CS
InChIInChI=1S/C3H9N3S2/c4-3(5)6-2(8)1-7/h2,7-8H,1H2,(H4,4,5,6)
InChIKeyLCJXZPMPYBHLII-UHFFFAOYSA-N
XLogP-0.55
TPSA64.40 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

4-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanethioic S-acid
CID 21120256
2-(diaminomethylideneamino)-4-sulfanylbutanamide
CID 89299853
2-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine
CID 91280043
2-(1-aminoethyl)guanidine;hydrochloride
CID 55285511
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
butyl 2-(diaminomethylideneamino)-2-sulfanylacetate
CID 174969222
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87534543
2-(1-hydroxy-3-methylbutan-2-yl)guanidine
CID 59851371
2-[(2S)-pentan-2-yl]guanidine
CID 94416084

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(sulfanyl)ethyl]guanidine?
The IUPAC name of 2-[1,2-bis(sulfanyl)ethyl]guanidine (CID 91116888) is 2-[1,2-bis(sulfanyl)ethyl]guanidine.
What is the SMILES notation for 2-[1,2-bis(sulfanyl)ethyl]guanidine?
The canonical SMILES for 2-[1,2-bis(sulfanyl)ethyl]guanidine is NC(N)=NC(S)CS.
What is the InChIKey of 2-[1,2-bis(sulfanyl)ethyl]guanidine?
The InChIKey is LCJXZPMPYBHLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S2/c4-3(5)6-2(8)1-7/h2,7-8H,1H2,(H4,4,5,6).
What are the key properties of 2-[1,2-bis(sulfanyl)ethyl]guanidine?
2-[1,2-bis(sulfanyl)ethyl]guanidine has a molecular weight of 151.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(sulfanyl)ethyl]guanidine is sourced from PubChem (CID 91116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).