2-(2-hydroxypropylsulfanylmethyl)guanidine

C5H13N3OS — CID 118327950

IUPAC2-(2-hydroxypropylsulfanylmethyl)guanidine
SMILESCC(O)CSCN=C(N)N
InChIInChI=1S/C5H13N3OS/c1-4(9)2-10-3-8-5(6)7/h4,9H,2-3H2,1H3,(H4,6,7,8)
InChIKeyFSWPGPVUYIRUCH-UHFFFAOYSA-N
MW163.25 g/mol
LogP-0.67
Rot. Bonds4

About 2-(2-hydroxypropylsulfanylmethyl)guanidine

2-(2-hydroxypropylsulfanylmethyl)guanidine (PubChem CID 118327950) has the molecular formula C5H13N3OS and a molecular weight of 163.25 g/mol. Its IUPAC name is 2-(2-hydroxypropylsulfanylmethyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxypropylsulfanylmethyl)guanidine
PubChem CID118327950
Molecular FormulaC5H13N3OS
Molecular Weight163.25 g/mol
Exact Mass163.08
IUPAC Name2-(2-hydroxypropylsulfanylmethyl)guanidine
SMILESCC(O)CSCN=C(N)N
InChIInChI=1S/C5H13N3OS/c1-4(9)2-10-3-8-5(6)7/h4,9H,2-3H2,1H3,(H4,6,7,8)
InChIKeyFSWPGPVUYIRUCH-UHFFFAOYSA-N
XLogP-0.67
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylsulfanylmethyl)guanidine?
The IUPAC name of 2-(2-hydroxypropylsulfanylmethyl)guanidine (CID 118327950) is 2-(2-hydroxypropylsulfanylmethyl)guanidine.
What is the SMILES notation for 2-(2-hydroxypropylsulfanylmethyl)guanidine?
The canonical SMILES for 2-(2-hydroxypropylsulfanylmethyl)guanidine is CC(O)CSCN=C(N)N.
What is the InChIKey of 2-(2-hydroxypropylsulfanylmethyl)guanidine?
The InChIKey is FSWPGPVUYIRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS/c1-4(9)2-10-3-8-5(6)7/h4,9H,2-3H2,1H3,(H4,6,7,8).
What are the key properties of 2-(2-hydroxypropylsulfanylmethyl)guanidine?
2-(2-hydroxypropylsulfanylmethyl)guanidine has a molecular weight of 163.25 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylsulfanylmethyl)guanidine is sourced from PubChem (CID 118327950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).