2-(3-sulfanylpropyl)guanidine;hydrochloride

C4H12ClN3S — CID 3028498

IUPAC2-(3-sulfanylpropyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCCS
InChIInChI=1S/C4H11N3S.ClH/c5-4(6)7-2-1-3-8;/h8H,1-3H2,(H4,5,6,7);1H
InChIKeyUGMNZFKMUSWQLM-UHFFFAOYSA-N
MW169.68 g/mol
LogP0.00
Rot. Bonds3

About 2-(3-sulfanylpropyl)guanidine;hydrochloride

2-(3-sulfanylpropyl)guanidine;hydrochloride (PubChem CID 3028498) has the molecular formula C4H12ClN3S and a molecular weight of 169.68 g/mol. Its IUPAC name is 2-(3-sulfanylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(3-sulfanylpropyl)guanidine;hydrochloride
PubChem CID3028498
Molecular FormulaC4H12ClN3S
Molecular Weight169.68 g/mol
Exact Mass169.04
IUPAC Name2-(3-sulfanylpropyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCCS
InChIInChI=1S/C4H11N3S.ClH/c5-4(6)7-2-1-3-8;/h8H,1-3H2,(H4,5,6,7);1H
InChIKeyUGMNZFKMUSWQLM-UHFFFAOYSA-N
XLogP0.00
TPSA64.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.68
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(4-aminobutyl)guanidine
CID 22560045
2-(4-iodobutyl)guanidine
CID 155000477
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
2-pent-4-ynylguanidine
CID 103696922
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
2-(5-oxoheptyl)guanidine
CID 89070451
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87534543
ethane;2-(4-methylpentyl)guanidine
CID 170602256

Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfanylpropyl)guanidine;hydrochloride?
The IUPAC name of 2-(3-sulfanylpropyl)guanidine;hydrochloride (CID 3028498) is 2-(3-sulfanylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(3-sulfanylpropyl)guanidine;hydrochloride?
The canonical SMILES for 2-(3-sulfanylpropyl)guanidine;hydrochloride is Cl.NC(N)=NCCCS.
What is the InChIKey of 2-(3-sulfanylpropyl)guanidine;hydrochloride?
The InChIKey is UGMNZFKMUSWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S.ClH/c5-4(6)7-2-1-3-8;/h8H,1-3H2,(H4,5,6,7);1H.
What are the key properties of 2-(3-sulfanylpropyl)guanidine;hydrochloride?
2-(3-sulfanylpropyl)guanidine;hydrochloride has a molecular weight of 169.68 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 3028498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).