CID 172736245

C2H10N3PS — CID 172736245

IUPAC—
SMILESC=C.NP(N)(N)=S
InChIInChI=1S/C2H4.H6N3PS/c1-2;1-4(2,3)5/h1-2H2;(H6,1,2,3,5)
InChIKeyIMCWNKXXMUBVGO-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.11
Rot. Bonds

About CID 172736245

CID 172736245 (PubChem CID 172736245) has the molecular formula C2H10N3PS and a molecular weight of 139.16 g/mol.

Molecular Properties

Compound NameCID 172736245
PubChem CID172736245
Molecular FormulaC2H10N3PS
Molecular Weight139.16 g/mol
Exact Mass139.03
IUPAC Name—
SMILESC=C.NP(N)(N)=S
InChIInChI=1S/C2H4.H6N3PS/c1-2;1-4(2,3)5/h1-2H2;(H6,1,2,3,5)
InChIKeyIMCWNKXXMUBVGO-UHFFFAOYSA-N
XLogP-0.11
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172736245?
The IUPAC name of CID 172736245 (CID 172736245) is not available.
What is the SMILES notation for CID 172736245?
The canonical SMILES for CID 172736245 is C=C.NP(N)(N)=S.
What is the InChIKey of CID 172736245?
The InChIKey is IMCWNKXXMUBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.H6N3PS/c1-2;1-4(2,3)5/h1-2H2;(H6,1,2,3,5).
What are the key properties of CID 172736245?
CID 172736245 has a molecular weight of 139.16 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172736245 is sourced from PubChem (CID 172736245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).