(2-propan-2-ylhydrazinyl)methanethiol

C4H12N2S — CID 121404674

IUPAC(2-propan-2-ylhydrazinyl)methanethiol
SMILESCC(C)NNCS
InChIInChI=1S/C4H12N2S/c1-4(2)6-5-3-7/h4-7H,3H2,1-2H3
InChIKeyKTYLHCBZTBYMHI-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.38
Rot. Bonds3

About (2-propan-2-ylhydrazinyl)methanethiol

(2-propan-2-ylhydrazinyl)methanethiol (PubChem CID 121404674) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is (2-propan-2-ylhydrazinyl)methanethiol.

Molecular Properties

Compound Name(2-propan-2-ylhydrazinyl)methanethiol
PubChem CID121404674
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC Name(2-propan-2-ylhydrazinyl)methanethiol
SMILESCC(C)NNCS
InChIInChI=1S/C4H12N2S/c1-4(2)6-5-3-7/h4-7H,3H2,1-2H3
InChIKeyKTYLHCBZTBYMHI-UHFFFAOYSA-N
XLogP0.38
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylhydrazinyl)methanethiol?
The IUPAC name of (2-propan-2-ylhydrazinyl)methanethiol (CID 121404674) is (2-propan-2-ylhydrazinyl)methanethiol.
What is the SMILES notation for (2-propan-2-ylhydrazinyl)methanethiol?
The canonical SMILES for (2-propan-2-ylhydrazinyl)methanethiol is CC(C)NNCS.
What is the InChIKey of (2-propan-2-ylhydrazinyl)methanethiol?
The InChIKey is KTYLHCBZTBYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-4(2)6-5-3-7/h4-7H,3H2,1-2H3.
What are the key properties of (2-propan-2-ylhydrazinyl)methanethiol?
(2-propan-2-ylhydrazinyl)methanethiol has a molecular weight of 120.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylhydrazinyl)methanethiol is sourced from PubChem (CID 121404674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).