(Z)-3,4-dimethylpent-2-ene-2-thiol

C7H14S — CID 176996545

IUPAC(Z)-3,4-dimethylpent-2-ene-2-thiol
SMILESC/C(S)=C(\C)C(C)C
InChIInChI=1S/C7H14S/c1-5(2)6(3)7(4)8/h5,8H,1-4H3/b7-6-
InChIKeyMFVQFKZQFNWICO-SREVYHEPSA-N
MW130.26 g/mol
LogP2.87
Rot. Bonds1

About (Z)-3,4-dimethylpent-2-ene-2-thiol

(Z)-3,4-dimethylpent-2-ene-2-thiol (PubChem CID 176996545) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (Z)-3,4-dimethylpent-2-ene-2-thiol.

Molecular Properties

Compound Name(Z)-3,4-dimethylpent-2-ene-2-thiol
PubChem CID176996545
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(Z)-3,4-dimethylpent-2-ene-2-thiol
SMILESC/C(S)=C(\C)C(C)C
InChIInChI=1S/C7H14S/c1-5(2)6(3)7(4)8/h5,8H,1-4H3/b7-6-
InChIKeyMFVQFKZQFNWICO-SREVYHEPSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
2,3,4-trimethylpent-2-ene
CID 11270
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
CID 161401294
methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
CID 162024182
prop-1-ene-1,1,2-trithiol
CID 88897307
3-methylbut-2-ene-2-thiol
CID 19937202
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
(3E)-2,4,5-trimethylhexa-1,3-dien-3-ol
CID 144743244
(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol
CID 166716483
2,4,5,6-tetramethylhept-4-en-3-one
CID 159203948
(Z)-2,3,4-trimethylpent-2-enoic acid
CID 59976239

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethylpent-2-ene-2-thiol?
The IUPAC name of (Z)-3,4-dimethylpent-2-ene-2-thiol (CID 176996545) is (Z)-3,4-dimethylpent-2-ene-2-thiol.
What is the SMILES notation for (Z)-3,4-dimethylpent-2-ene-2-thiol?
The canonical SMILES for (Z)-3,4-dimethylpent-2-ene-2-thiol is C/C(S)=C(\C)C(C)C.
What is the InChIKey of (Z)-3,4-dimethylpent-2-ene-2-thiol?
The InChIKey is MFVQFKZQFNWICO-SREVYHEPSA-N. The full InChI is InChI=1S/C7H14S/c1-5(2)6(3)7(4)8/h5,8H,1-4H3/b7-6-.
What are the key properties of (Z)-3,4-dimethylpent-2-ene-2-thiol?
(Z)-3,4-dimethylpent-2-ene-2-thiol has a molecular weight of 130.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethylpent-2-ene-2-thiol is sourced from PubChem (CID 176996545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).