[propan-2-yl(propyl)amino]sulfanylmethanethiol

C7H17NS2 — CID 130246845

IUPAC[propan-2-yl(propyl)amino]sulfanylmethanethiol
SMILESCCCN(SCS)C(C)C
InChIInChI=1S/C7H17NS2/c1-4-5-8(7(2)3)10-6-9/h7,9H,4-6H2,1-3H3
InChIKeyRXJVLBZXAKBXRD-UHFFFAOYSA-N
MW179.35 g/mol
LogP2.64
Rot. Bonds5

About [propan-2-yl(propyl)amino]sulfanylmethanethiol

[propan-2-yl(propyl)amino]sulfanylmethanethiol (PubChem CID 130246845) has the molecular formula C7H17NS2 and a molecular weight of 179.35 g/mol. Its IUPAC name is [propan-2-yl(propyl)amino]sulfanylmethanethiol.

Molecular Properties

Compound Name[propan-2-yl(propyl)amino]sulfanylmethanethiol
PubChem CID130246845
Molecular FormulaC7H17NS2
Molecular Weight179.35 g/mol
Exact Mass179.08
IUPAC Name[propan-2-yl(propyl)amino]sulfanylmethanethiol
SMILESCCCN(SCS)C(C)C
InChIInChI=1S/C7H17NS2/c1-4-5-8(7(2)3)10-6-9/h7,9H,4-6H2,1-3H3
InChIKeyRXJVLBZXAKBXRD-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[butan-2-yl(propyl)amino]methanethiol
CID 142982154
N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine
CID 130247253
(1,2-13C2)ethanethiol
CID 169439901
N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine
CID 130411545
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine
CID 23279007
4-(dipropylamino)-3-methylbutane-1-thiol
CID 23362434
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N-propan-2-yloxy-N-silylpropan-1-amine
CID 174523836
N-propan-2-yl-N-[[propan-2-yl(propyl)amino]silylmethylsilyl]propan-1-amine
CID 123834239

Frequently Asked Questions

What is the IUPAC name of [propan-2-yl(propyl)amino]sulfanylmethanethiol?
The IUPAC name of [propan-2-yl(propyl)amino]sulfanylmethanethiol (CID 130246845) is [propan-2-yl(propyl)amino]sulfanylmethanethiol.
What is the SMILES notation for [propan-2-yl(propyl)amino]sulfanylmethanethiol?
The canonical SMILES for [propan-2-yl(propyl)amino]sulfanylmethanethiol is CCCN(SCS)C(C)C.
What is the InChIKey of [propan-2-yl(propyl)amino]sulfanylmethanethiol?
The InChIKey is RXJVLBZXAKBXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS2/c1-4-5-8(7(2)3)10-6-9/h7,9H,4-6H2,1-3H3.
What are the key properties of [propan-2-yl(propyl)amino]sulfanylmethanethiol?
[propan-2-yl(propyl)amino]sulfanylmethanethiol has a molecular weight of 179.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [propan-2-yl(propyl)amino]sulfanylmethanethiol is sourced from PubChem (CID 130246845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).